[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClNO5/c1-13(27-19(23)9-7-15-4-2-3-5-16(15)21)20(24)22-11-14-6-8-17-18(10-14)26-12-25-17/h2-10,13H,11-12H2,1H3,(H,22,24)/b9-7+