[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C21H18N2O6/c1-2-26-17-6-4-16(5-7-17)23-20(24)12-27-21(25)15(11-22)9-14-3-8-18-19(10-14)29-13-28-18/h3-10H,2,12-13H2,1H3,(H,23,24)