methyl 2-[(1-cyano-5-ethoxy-5-oxidanylidene-pentan-2-yl)diazenyl]benzoate

Systemtic Name: methyl 2-[(1-cyano-5-ethoxy-5-oxidanylidene-pentan-2-yl)diazenyl]benzoate Openeye Name: methyl 2-[1-(cyanomethyl)-4-ethoxy-4-oxo-butyl]azobenzoate CAS Name: 2-(1-cyano-5-ethoxy-5-oxopentan-2-yl)azobenzoic acid methyl ester IUPAC Name: methyl 2-[(1-cyano-5-ethoxy-5-oxopentan-2-yl)diazenyl]benzoate Traditional Name: 2-[1-(cyanomethyl)-4-ethoxy-4-keto-butyl]azobenzoic acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC#N)N=NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCOC(=O)CCC(CC#N)N=NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C16H19N3O4/c1-3-23-15(20)9-8-12(10-11-17)18-19-14-7-5-4-6-13(14)16(21)22-2/h4-7,12H,3,8-10H2,1-2H3