Name: Name:2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
Brand: Angene
SKU: AG001AT3
Rating: 90 (10 reviews)

2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester

CAS No.:

139346-57-9

Catalog Number:

AG001AT3

Molecular Formula:

C18H18N2O6

Molecular Weight:

358.3453

Catalog Number:

AG001AT3

Chemical Name:

2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester

CAS Number:

139346-57-9

Molecular Formula:

C18H18N2O6

Molecular Weight:

358.3453

MDL Number:

MFCD00467585

IUPAC Name:

(2,5-dioxopyrrolidin-1-yl) 7-(diethylamino)-2-oxochromene-3-carboxylate

InChI:

InChI=1S/C18H18N2O6/c1-3-19(4-2)12-6-5-11-9-13(17(23)25-14(11)10-12)18(24)26-20-15(21)7-8-16(20)22/h5-6,9-10H,3-4,7-8H2,1-2H3

InChI Key:

NUNPVRICKDZFLK-UHFFFAOYSA-N

SMILES:

CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)ON1C(=O)CCC1=O)CC

Complexity:

638

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.35g/mol

Monoisotopic Mass:

358.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9