4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C14H11N2O3- MolecularWeight: 255.24874

Click to see the large picture

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(=C/C1=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)/p-1/b12-8+