ethyl 6-[(Z)-1-chloranyl-3-oxidanylidene-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylate

Systemtic Name: ethyl 6-[(Z)-1-chloranyl-3-oxidanylidene-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylate Openeye Name: ethyl 6-[(Z)-1-chloro-3-oxo-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylate CAS Name: 6-[(Z)-1-chloro-3-oxoprop-1-enyl]-1-cyclohepta-1,3,5-trienecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(Z)-1-chloro-3-oxoprop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylate Traditional Name: 6-[(Z)-1-chloro-3-keto-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylic acid ethyl ester Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=CC=C(C1)/C(=C/C=O)/Cl

InChI

InChI=1S/C13H13ClO3/c1-2-17-13(16)11-6-4-3-5-10(9-11)12(14)7-8-15/h3-8H,2,9H2,1H3/b12-7-