[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C

InChI

InChI=1S/C22H20N4O4/c1-15(27)16-12-20(26(2)13-16)22(29)30-14-21(28)23-17-8-10-19(11-9-17)25-24-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,23,28)