[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H21NO7/c1-3-26-18-10-14(4-7-16(18)25-2)5-9-21(24)27-12-20(23)22-15-6-8-17-19(11-15)29-13-28-17/h4-11H,3,12-13H2,1-2H3,(H,22,23)/b9-5+