methyl 2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]pyridine-4-carboxylate

Systemtic Name: methyl 2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]pyridine-4-carboxylate Openeye Name: methyl 2-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylate CAS Name: 2-[[2-oxo-2-(propylamino)ethyl]amino]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylate Traditional Name: 2-[[2-keto-2-(propylamino)ethyl]amino]isonicotinic acid methyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=NC=CC(=C1)C(=O)OC

Isomeric SMILES

CCCNC(=O)CNC1=NC=CC(=C1)C(=O)OC

InChI

InChI=1S/C12H17N3O3/c1-3-5-14-11(16)8-15-10-7-9(4-6-13-10)12(17)18-2/h4,6-7H,3,5,8H2,1-2H3,(H,13,15)(H,14,16)