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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-26-18-10-14(2-5-16(18)27-9-8-22)3-7-21(25)28-12-20(24)23-15-4-6-17-19(11-15)30-13-29-17/h2-7,10-11H,9,12-13H2,1H3,(H,23,24)