(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H18N4O4/c21-14-8-2-1-5-9-19(14)10-15(22)24-11-20-16(23)12-6-3-4-7-13(12)17-18-20/h3-4,6-7H,1-2,5,8-11H2