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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]benzoic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-2-7-16-13(17)12(9-15)8-10-3-5-11(6-4-10)14(18)19/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19)/b12-8+