[4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-chloranylbenzoate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H19ClN2O6 MolecularWeight: 490.89186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H19ClN2O6/c1-32-23-11-16(6-9-22(23)35-26(31)19-4-2-3-5-20(19)27)10-18(13-28)25(30)29-14-17-7-8-21-24(12-17)34-15-33-21/h2-12H,14-15H2,1H3,(H,29,30)/b18-10+