ethyl 3-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C25H21N7O4 MolecularWeight: 483.47874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N7O4/c1-2-36-25(33)17-7-6-10-21(15-17)29-24-22(32(34)35)23(26-16-27-24)28-18-11-13-20(14-12-18)31-30-19-8-4-3-5-9-19/h3-16H,2H2,1H3,(H2,26,27,28,29)