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

Systemtic Name: 4-[[5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-keto-5-(2-methoxy-5-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=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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