2-[(Z)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 2-[(Z)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 2-[(Z)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 2-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 2-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 2-[(Z)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=CC=C1C(=O)O)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC=CC=C1C(=O)O)/C#N

InChI

InChI=1S/C15H16N2O3/c1-2-3-8-17-14(18)12(10-16)9-11-6-4-5-7-13(11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,17,18)(H,19,20)/b12-9-