methyl 5-cyano-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 5-cyano-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 5-cyano-2-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 5-cyano-2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-cyano-2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 5-cyano-2-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoic acid methyl ester Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=C(C=C1)C#N)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/C1=C(C=C(C=C1)C#N)C(=O)OC

InChI

InChI=1S/C13H11NO4/c1-17-12(15)6-5-10-4-3-9(8-14)7-11(10)13(16)18-2/h3-7H,1-2H3/b6-5+