[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-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-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-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-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C20H15ClN2O6/c1-26-16-5-3-14(21)8-15(16)23-19(24)10-27-20(25)13(9-22)6-12-2-4-17-18(7-12)29-11-28-17/h2-8H,10-11H2,1H3,(H,23,24)