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

Systemtic Name: 4-[[6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N5O4/c1-11-2-6-13(7-3-11)21-16-15(23(26)27)17(20-10-19-16)22-14-8-4-12(5-9-14)18(24)25/h2-10H,1H3,(H,24,25)(H2,19,20,21,22)