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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-nitrophenyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-nitrophenyl)sulfamoyl]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=C3)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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