4-[(3-butoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(3-butoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-(3-butoxyanilino)-4-oxo-but-2-enoic acid CAS Name: 4-(3-butoxyanilino)-4-oxo-2-butenoic acid IUPAC Name: 4-(3-butoxyanilino)-4-oxobut-2-enoic acid Traditional Name: 4-(3-butoxyanilino)-4-keto-but-2-enoic acid Formula: C14H17NO4 MolecularWeight: 263.28908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)C=CC(=O)O

InChI

InChI=1S/C14H17NO4/c1-2-3-9-19-12-6-4-5-11(10-12)15-13(16)7-8-14(17)18/h4-8,10H,2-3,9H2,1H3,(H,15,16)(H,17,18)