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

Systemtic Name: 3-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[6-methyl-5-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-keto-6-methyl-5-(4-nitrobenzyl)-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5/c1-11-16(9-12-5-7-15(8-6-12)23(27)28)17(24)22-19(20-11)21-14-4-2-3-13(10-14)18(25)26/h2-8,10H,9H2,1H3,(H,25,26)(H2,20,21,22,24)