ethyl 2-chloranyl-5-[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-3-phenyl-benzoate

Systemtic Name: ethyl 2-chloranyl-5-[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-3-phenyl-benzoate Openeye Name: ethyl 2-chloro-5-[(E)-3-ethoxy-2-methyl-3-oxo-prop-1-enyl]-3-phenyl-benzoate CAS Name: 2-chloro-5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-3-phenylbenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-3-phenylbenzoate Traditional Name: 2-chloro-5-[(E)-3-ethoxy-3-keto-2-methyl-prop-1-enyl]-3-phenyl-benzoic acid ethyl ester Formula: C21H21ClO4 MolecularWeight: 372.84204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1)C=C(C)C(=O)OCC)C2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1)/C=C(\C)/C(=O)OCC)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H21ClO4/c1-4-25-20(23)14(3)11-15-12-17(16-9-7-6-8-10-16)19(22)18(13-15)21(24)26-5-2/h6-13H,4-5H2,1-3H3/b14-11+