Name: Name:4H-1-Benzopyran-3-carboxylic acid, 6-methoxy-2-(4-nitrophenyl)-4-oxo-, methyl ester
Brand: Angene
SKU: AG00102P
Rating: 90 (10 reviews)

4H-1-Benzopyran-3-carboxylic acid, 6-methoxy-2-(4-nitrophenyl)-4-oxo-, methyl ester

CAS No.:

132018-13-4

Catalog Number:

AG00102P

Molecular Formula:

C18H13NO7

Molecular Weight:

355.2983

Catalog Number:

AG00102P

Chemical Name:

4H-1-Benzopyran-3-carboxylic acid, 6-methoxy-2-(4-nitrophenyl)-4-oxo-, methyl ester

CAS Number:

132018-13-4

Molecular Formula:

C18H13NO7

Molecular Weight:

355.2983

MDL Number:

MFCD01863415

IUPAC Name:

methyl 6-methoxy-2-(4-nitrophenyl)-4-oxochromene-3-carboxylate

InChI:

InChI=1S/C18H13NO7/c1-24-12-7-8-14-13(9-12)16(20)15(18(21)25-2)17(26-14)10-3-5-11(6-4-10)19(22)23/h3-9H,1-2H3

InChI Key:

BJLXUOUDXYTEOD-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)c(=O)c(c(o2)c1ccc(cc1)[N+](=O)[O-])C(=O)OC

Complexity:

616

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

355.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

355.302g/mol

Monoisotopic Mass:

355.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: