4-oxidanylidene-4-[4-(prop-2-enylamino)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(prop-2-enylamino)phenyl]butanoic acid Openeye Name: 4-[4-(allylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[4-(prop-2-enylamino)phenyl]butanoic acid IUPAC Name: 4-oxo-4-[4-(prop-2-enylamino)phenyl]butanoic acid Traditional Name: 4-[4-(allylamino)phenyl]-4-keto-butyric acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=CC=C(C=C1)C(=O)CCC(=O)O

Isomeric SMILES

C=CCNC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C13H15NO3/c1-2-9-14-11-5-3-10(4-6-11)12(15)7-8-13(16)17/h2-6,14H,1,7-9H2,(H,16,17)