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

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

Isomeric SMILES

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

InChI

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