2-[[4-(2-oxidanylidenebutanoyl)pyridin-3-yl]carbonylamino]ethyl benzoate

Systemtic Name: 2-[[4-(2-oxidanylidenebutanoyl)pyridin-3-yl]carbonylamino]ethyl benzoate Openeye Name: 2-[[4-(2-oxobutanoyl)pyridine-3-carbonyl]amino]ethyl benzoate CAS Name: benzoic acid 2-[[[4-(1,2-dioxobutyl)-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-(2-oxobutanoyl)pyridine-3-carbonyl]amino]ethyl benzoate Traditional Name: benzoic acid 2-[[4-(2-ketobutanoyl)nicotinoyl]amino]ethyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)C1=C(C=NC=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)C(=O)C1=C(C=NC=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O5/c1-2-16(22)17(23)14-8-9-20-12-15(14)18(24)21-10-11-26-19(25)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,21,24)