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4-[(E)-5-cyano-3-oxidanylidene-pent-1-enyl]benzoic acid

4-[(E)-5-cyano-3-oxidanylidene-pent-1-enyl]benzoic acid

Systemtic Name:4-[(E)-5-cyano-3-oxidanylidene-pent-1-enyl]benzoic acid
Openeye Name:4-[(E)-5-cyano-3-oxo-pent-1-enyl]benzoic acid
CAS Name:4-[(E)-5-cyano-3-oxopent-1-enyl]benzoic acid
IUPAC Name:4-[(E)-5-cyano-3-oxopent-1-enyl]benzoic acid
Traditional Name:4-[(E)-5-cyano-3-keto-pent-1-enyl]benzoic acid
Formula: C13H11NO3
MolecularWeight: 229.23134
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)CCC#N)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)CCC#N)C(=O)O


InChI

InChI=1S/C13H11NO3/c14-9-1-2-12(15)8-5-10-3-6-11(7-4-10)13(16)17/h3-8H,1-2H2,(H,16,17)/b8-5+


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