[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c23-16(21-10-5-1-2-6-11-21)13-26-17(24)9-12-22-18(25)14-7-3-4-8-15(14)19-20-22/h3-4,7-8H,1-2,5-6,9-13H2