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

Systemtic Name: methyl 4-chloranyl-2-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate CAS Name: 4-chloro-2-[[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoate Traditional Name: 4-chloro-2-[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4/c1-30-21(29)16-11-10-14(22)13-18(16)23-19(27)9-3-2-6-12-26-20(28)15-7-4-5-8-17(15)24-25-26/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,23,27)