[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H16ClNO5 MolecularWeight: 337.75494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)NCC#C)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)NCC#C)Cl)OC

InChI

InChI=1S/C16H16ClNO5/c1-4-7-18-14(19)10-23-15(20)6-5-11-8-12(17)16(22-3)13(9-11)21-2/h1,5-6,8-9H,7,10H2,2-3H3,(H,18,19)/b6-5+