[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H19N3O3 MolecularWeight: 277.31896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)N

InChI

InChI=1S/C14H19N3O3/c15-13-11(6-5-7-16-13)14(19)20-10-12(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-10H2,(H2,15,16)