ethyl 4-[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H24N8O4 MolecularWeight: 476.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N8O4/c1-2-35-23(32)30-14-12-29(13-15-30)22-20(31(33)34)21(24-16-25-22)26-17-8-10-19(11-9-17)28-27-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,24,25,26)