4-[[2-[(4-carboxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-[(4-carboxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[2-(4-carboxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[2-(4-carboxyanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-carboxyanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[2-(4-carboxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H15N5O6 MolecularWeight: 409.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

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