[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-(2-acetylhydrazino)-2-oxo-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [2-(acetylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [2-(N'-acetylhydrazino)-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NNC(=O)COC(=O)C=CC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CC(=O)NNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C19H25N3O4/c1-15(23)20-21-18(24)14-26-19(25)11-8-16-6-9-17(10-7-16)22-12-4-2-3-5-13-22/h6-11H,2-5,12-14H2,1H3,(H,20,23)(H,21,24)/b11-8+