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

Systemtic Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranylbenzoate Openeye Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [3-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]phenyl] ester Formula: C25H17ClN2O5 MolecularWeight: 460.86588

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl)/C#N

InChI

InChI=1S/C25H17ClN2O5/c26-21-7-2-1-6-20(21)25(30)33-19-5-3-4-16(11-19)10-18(13-27)24(29)28-14-17-8-9-22-23(12-17)32-15-31-22/h1-12H,14-15H2,(H,28,29)/b18-10+