(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O4/c18-12-5-3-4-11(8-12)16(24)19-9-15(23)26-10-22-17(25)13-6-1-2-7-14(13)20-21-22/h1-8H,9-10H2,(H,19,24)