methyl 2-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C24H19N7O4 MolecularWeight: 469.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C24H19N7O4/c1-35-24(32)19-9-5-6-10-20(19)28-23-21(31(33)34)22(25-15-26-23)27-16-11-13-18(14-12-16)30-29-17-7-3-2-4-8-17/h2-15H,1H3,(H2,25,26,27,28)