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

Systemtic Name: 4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]benzoate Formula: C12H8NO4- MolecularWeight: 230.19622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)C(=O)[O-])C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(C=C1)C(=O)[O-])/C#N

InChI

InChI=1S/C12H9NO4/c1-17-12(16)10(7-13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,14,15)/p-1/b10-6+