4-bromanyl-2-nitro-benzoic acid; [methyl(sulfino)amino]methane

Systemtic Name: 4-bromanyl-2-nitro-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-bromo-2-nitro-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-bromo-2-nitrobenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-bromo-2-nitrobenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-bromo-2-nitro-benzoic acid; [methyl(sulfino)amino]methane Formula: C9H11BrN2O6S MolecularWeight: 355.16244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)S(=O)O.C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H4BrNO4.C2H7NO2S/c8-4-1-2-5(7(10)11)6(3-4)9(12)13;1-3(2)6(4)5/h1-3H,(H,10,11);1-2H3,(H,4,5)