[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-methylphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (E)-3-(3-chloro-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C20H18ClNO5/c1-13-2-3-14(8-16(13)21)5-7-20(24)25-11-19(23)22-10-15-4-6-17-18(9-15)27-12-26-17/h2-9H,10-12H2,1H3,(H,22,23)/b7-5+