methyl 2-[(1-acetyloxy-4-cyano-2-methyl-butan-2-yl)diazenyl]benzoate

Systemtic Name: methyl 2-[(1-acetyloxy-4-cyano-2-methyl-butan-2-yl)diazenyl]benzoate Openeye Name: methyl 2-[1-(acetoxymethyl)-3-cyano-1-methyl-propyl]azobenzoate CAS Name: 2-(1-acetyloxy-4-cyano-2-methylbutan-2-yl)azobenzoic acid methyl ester IUPAC Name: methyl 2-[(1-acetyloxy-4-cyano-2-methylbutan-2-yl)diazenyl]benzoate Traditional Name: 2-[1-(acetoxymethyl)-3-cyano-1-methyl-propyl]azobenzoic acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(CCC#N)N=NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CC(=O)OCC(C)(CCC#N)N=NC1=CC=CC=C1C(=O)OC

InChI

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