(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-dimethylaminophenyl)azobenzoate CAS Name: 2-(4-dimethylaminophenyl)azobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 2-(4-dimethylaminophenyl)azobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H21N5O3/c1-14(23)18(12-22)20(27)13-29-21(28)17-6-4-5-7-19(17)25-24-15-8-10-16(11-9-15)26(2)3/h4-11,18,23H,13H2,1-3H3