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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

COC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H13N3O3/c1-18-11(16)7-4-8-15-12(17)9-5-2-3-6-10(9)13-14-15/h2-3,5-6H,4,7-8H2,1H3