4-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-keto-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-11-15(9-12-3-8-17(30-2)16(10-12)24(28)29)18(25)23-20(21-11)22-14-6-4-13(5-7-14)19(26)27/h3-8,10H,9H2,1-2H3,(H,26,27)(H2,21,22,23,25)