(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15N5O7S MolecularWeight: 481.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O7S/c27-20-16-8-1-3-10-18(16)22-24-25(20)13-33-21(28)17-9-2-4-11-19(17)23-34(31,32)15-7-5-6-14(12-15)26(29)30/h1-12,23H,13H2