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

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C24H15ClN2O5 MolecularWeight: 446.8393

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)/C#N

InChI

InChI=1S/C24H15ClN2O5/c25-18-5-3-16(4-6-18)24(29)32-20-8-1-15(2-9-20)11-17(13-26)23(28)27-19-7-10-21-22(12-19)31-14-30-21/h1-12H,14H2,(H,27,28)/b17-11+