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

Systemtic Name: 4-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C23H17N7O4 MolecularWeight: 455.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17N7O4/c31-23(32)15-6-8-16(9-7-15)26-21-20(30(33)34)22(25-14-24-21)27-17-10-12-19(13-11-17)29-28-18-4-2-1-3-5-18/h1-14H,(H,31,32)(H2,24,25,26,27)