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

Systemtic Name: 4-[[5-ethoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-ethoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-ethoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-ethoxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbethoxy-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C22H21N3O7/c1-3-32-21(28)18-13(2)24(12-14-4-6-16(7-5-14)20(26)27)22(29)23-19(18)15-8-10-17(11-9-15)25(30)31/h4-11,19H,3,12H2,1-2H3,(H,23,29)(H,26,27)