4-[[5-[(4-chlorophenyl)methylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-[(4-chlorophenyl)methylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[(4-chlorophenyl)methylamino]-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[(4-chlorophenyl)methylamino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[(4-chlorobenzyl)amino]-2-pyridyl]amino]-4-keto-butyrate Formula: C16H15ClN3O3- MolecularWeight: 332.7616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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