4-[[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C27H23N3O7 MolecularWeight: 501.48742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23N3O7/c1-17-23(26(33)37-16-19-6-3-2-4-7-19)24(21-8-5-9-22(14-21)30(35)36)28-27(34)29(17)15-18-10-12-20(13-11-18)25(31)32/h2-14,24H,15-16H2,1H3,(H,28,34)(H,31,32)