(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O4/c20-14-9-7-13(8-10-14)18(26)21-11-3-6-17(25)28-12-24-19(27)15-4-1-2-5-16(15)22-23-24/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,26)