4-[[6-[(4-methoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-methoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-methoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-methoxycarbonylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-methoxycarbonylanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carbomethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H15N5O6 MolecularWeight: 409.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O6/c1-30-19(27)12-4-8-14(9-5-12)23-17-15(24(28)29)16(20-10-21-17)22-13-6-2-11(3-7-13)18(25)26/h2-10H,1H3,(H,25,26)(H2,20,21,22,23)