4-[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-5-[(phenylmethyl)carbamoyl]-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-5-[(phenylmethyl)carbamoyl]-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-(benzylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-(3-nitrophenyl)-2-oxo-5-[oxo-[(phenylmethyl)amino]methyl]-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-(benzylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-(benzylcarbamoyl)-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O6/c1-15-20(22(30)24-14-16-7-3-2-4-8-16)21(17-9-5-10-18(13-17)27(32)33)25-23(31)26(15)12-6-11-19(28)29/h2-5,7-10,13,21H,6,11-12,14H2,1H3,(H,24,30)(H,25,31)(H,28,29)