Name: Name:Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-
Brand: Angene
SKU: AG001U0V
Rating: 90 (10 reviews)

Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-

CAS No.:

16331-96-7

Catalog Number:

AG001U0V

Molecular Formula:

C20H20N2O4

Molecular Weight:

352.3838

Catalog Number:

AG001U0V

Chemical Name:

Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-

CAS Number:

16331-96-7

Molecular Formula:

C20H20N2O4

Molecular Weight:

352.3838

MDL Number:

MFCD00274627

IUPAC Name:

5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]

InChI:

InChI=1S/C20H20N2O4/c1-19(2)16-12-15(25-4)6-7-17(16)21(3)20(19)10-9-13-11-14(22(23)24)5-8-18(13)26-20/h5-12H,1-4H3

InChI Key:

YPVXHRMUYMHMIT-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)ccc(c2)[N+](=O)[O-]

EC Number:

240-405-1

Complexity:

601

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

352.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

352.39g/mol

Monoisotopic Mass:

352.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7