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

Systemtic Name: 4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]benzoate Formula: C13H10NO4- MolecularWeight: 244.2228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4/c1-2-18-13(17)11(8-14)7-9-3-5-10(6-4-9)12(15)16/h3-7H,2H2,1H3,(H,15,16)/p-1/b11-7+