methyl 2-[[6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate Openeye Name: methyl 2-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate CAS Name: 2-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate Traditional Name: 2-[(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amino]benzoic acid methyl ester Formula: C15H11N3O6S MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O6S/c1-24-15(19)10-4-2-3-5-12(10)16-14-11-7-6-9(18(20)21)8-13(11)25(22,23)17-14/h2-8H,1H3,(H,16,17)