4-[[6-[(4-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[(4-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[(4-chlorophenyl)methylamino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[(4-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[(4-chlorobenzyl)amino]-3-pyridyl]amino]-4-keto-butyrate Formula: C16H15ClN3O3- MolecularWeight: 332.7616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC(=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O3/c17-12-3-1-11(2-4-12)9-18-14-6-5-13(10-19-14)20-15(21)7-8-16(22)23/h1-6,10H,7-9H2,(H,18,19)(H,20,21)(H,22,23)/p-1