4-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C19H17N5O6/c1-29-13-7-8-14(15(9-13)30-2)23-18-16(24(27)28)17(20-10-21-18)22-12-5-3-11(4-6-12)19(25)26/h3-10H,1-2H3,(H,25,26)(H2,20,21,22,23)