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

Systemtic Name: 4-[[5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-methoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbomethoxy-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C21H19N3O7 MolecularWeight: 425.39146

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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=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-12-17(20(27)31-2)18(14-7-9-16(10-8-14)24(29)30)22-21(28)23(12)11-13-3-5-15(6-4-13)19(25)26/h3-10,18H,11H2,1-2H3,(H,22,28)(H,25,26)