[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H20ClNO5 MolecularWeight: 365.8081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H20ClNO5/c19-14-9-13(10-15-18(14)25-12-24-15)5-6-17(22)23-11-16(21)20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8,11-12H2/b6-5+