diethyl 2-[[4-(4-methylphenyl)-1-oxidanylidene-isochromen-3-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[[4-(4-methylphenyl)-1-oxidanylidene-isochromen-3-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[[1-oxo-4-(p-tolyl)isochromene-3-carbonyl]amino]propanedioate CAS Name: 2-[[[4-(4-methylphenyl)-1-oxo-2-benzopyran-3-yl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(4-methylphenyl)-1-oxoisochromene-3-carbonyl]amino]propanedioate Traditional Name: 2-[[1-keto-4-(p-tolyl)isochromene-3-carbonyl]amino]malonic acid diethyl ester Formula: C24H23NO7 MolecularWeight: 437.44192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H23NO7/c1-4-30-23(28)19(24(29)31-5-2)25-21(26)20-18(15-12-10-14(3)11-13-15)16-8-6-7-9-17(16)22(27)32-20/h6-13,19H,4-5H2,1-3H3,(H,25,26)