[4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-ethoxy-phenyl] 2-chloranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-ethoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-ethoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-ethoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-ethoxy-phenyl] ester Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C(C)(C)C)OC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C(C)(C)C)OC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C23H22ClNO4/c1-5-28-20-13-15(12-16(14-25)21(26)23(2,3)4)10-11-19(20)29-22(27)17-8-6-7-9-18(17)24/h6-13H,5H2,1-4H3/b16-12+