4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C14H12N2O3 MolecularWeight: 256.25668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1CC1NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C14H12N2O3/c15-8-11(13(17)16-12-5-6-12)7-9-1-3-10(4-2-9)14(18)19/h1-4,7,12H,5-6H2,(H,16,17)(H,18,19)/b11-7+