methyl 4-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate

Systemtic Name: methyl 4-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 4-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate Traditional Name: 4-[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O4/c1-29-21(28)15-10-12-16(13-11-15)22-19(26)9-3-2-6-14-25-20(27)17-7-4-5-8-18(17)23-24-25/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H,22,26)