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

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

CCC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H17ClN4O4/c1-3-16(24-18(26)12-6-4-5-7-14(12)22-23-24)17(25)21-15-10-11(20)8-9-13(15)19(27)28-2/h4-10,16H,3H2,1-2H3,(H,21,25)