[(3-nitrophenyl)carbonylamino] 3-methylthiophene-2-sulfonate

Systemtic Name: [(3-nitrophenyl)carbonylamino] 3-methylthiophene-2-sulfonate Openeye Name: [(3-nitrobenzoyl)amino] 3-methylthiophene-2-sulfonate CAS Name: 3-methyl-2-thiophenesulfonic acid [[(3-nitrophenyl)-oxomethyl]amino] ester IUPAC Name: [(3-nitrobenzoyl)amino] 3-methylthiophene-2-sulfonate Traditional Name: 3-methylthiophene-2-sulfonic acid [(3-nitrobenzoyl)amino] ester Formula: C12H10N2O6S2 MolecularWeight: 342.3476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)S(=O)(=O)ONC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)S(=O)(=O)ONC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6S2/c1-8-5-6-21-12(8)22(18,19)20-13-11(15)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)