methyl 4-[(E)-[[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propanoyl]hydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propanoyl]hydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[3-oxo-3-(3-pyridylmethylamino)propanoyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[1,3-dioxo-3-(3-pyridinylmethylamino)propyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[3-oxo-3-(pyridin-3-ylmethylamino)propanoyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[3-keto-3-(3-pyridylmethylamino)propanoyl]hydrazono]methyl]benzoic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NCC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H18N4O4/c1-26-18(25)15-6-4-13(5-7-15)12-21-22-17(24)9-16(23)20-11-14-3-2-8-19-10-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,22,24)/b21-12+