6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-[(phenylmethyl)carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-[(phenylmethyl)carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(benzylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(benzylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(benzylcarbamoyl)-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H18N4O6/c1-12-16(18(25)26)17(14-8-5-9-15(10-14)24(29)30)23(20(28)22-12)19(27)21-11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H,21,27)(H,22,28)(H,25,26)