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

Systemtic Name: 4-[[4-[(2-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(2-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(2-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-methyl-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]benzoic acid Formula: C19H17N5O5 MolecularWeight: 395.36878

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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=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c1-11-16(24(27)28)17(22-14-5-3-4-6-15(14)29-2)23-19(20-11)21-13-9-7-12(8-10-13)18(25)26/h3-10H,1-2H3,(H,25,26)(H2,20,21,22,23)