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

Systemtic Name: 3-[[5-[(4-nitrophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-hydroxy-5-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-hydroxy-5-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[4-hydroxy-5-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-hydroxy-6-keto-5-(4-nitrobenzyl)-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C18H14N4O6/c23-15-14(8-10-4-6-13(7-5-10)22(27)28)16(24)21-18(20-15)19-12-3-1-2-11(9-12)17(25)26/h1-7,9H,8H2,(H,25,26)(H3,19,20,21,23,24)