[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C(=CC2=CC=CO2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C(=C/C2=CC=CO2)/C#N

InChI

InChI=1S/C16H18N2O4/c17-11-13(10-14-6-5-9-21-14)16(20)22-12-15(19)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8,12H2/b13-10+