[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H16N2O6/c1-25-16-4-2-3-13(8-16)7-14(10-21)20(24)26-11-19(23)22-15-5-6-17-18(9-15)28-12-27-17/h2-9H,11-12H2,1H3,(H,22,23)/b14-7+