3-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-methyl-6-(N-methylanilino)-5-nitro-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzoic acid Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4/c1-12-16(24(27)28)17(23(2)15-9-4-3-5-10-15)22-19(20-12)21-14-8-6-7-13(11-14)18(25)26/h3-11H,1-2H3,(H,25,26)(H,20,21,22)