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

Systemtic Name: methyl 4-chloranyl-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate CAS Name: 4-chloro-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate Traditional Name: 4-chloro-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H17ClN4O4/c1-28-19(27)14-9-8-12(20)11-16(14)21-17(25)7-4-10-24-18(26)13-5-2-3-6-15(13)22-23-24/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,25)