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

Systemtic Name: 5-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[4-keto-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18N4O7/c1-10-13(7-11-3-6-17(31-2)15(8-11)24(29)30)18(26)23-20(21-10)22-12-4-5-16(25)14(9-12)19(27)28/h3-6,8-9,25H,7H2,1-2H3,(H,27,28)(H2,21,22,23,26)