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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3/c1-2-7-16-13(17)12(9-15)8-10-3-5-11(6-4-10)14(18)19/h2-6,8H,1,7H2,(H,16,17)(H,18,19)