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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-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-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H20ClNO7 MolecularWeight: 433.839

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO7/c1-3-27-18-9-13(8-15(22)21(18)26-2)4-7-20(25)28-11-19(24)23-14-5-6-16-17(10-14)30-12-29-16/h4-10H,3,11-12H2,1-2H3,(H,23,24)/b7-4+