[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O3/c1-15-7-8-16(13-22-15)21(27)28-14-20(26)23-17-9-11-19(12-10-17)25-24-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,26)