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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl butanoate CAS Name: butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl butanoate Traditional Name: butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H13N3O3/c1-2-5-11(16)18-8-15-12(17)9-6-3-4-7-10(9)13-14-15/h3-4,6-7H,2,5,8H2,1H3