4-[1-hydroxyethyl(methyl)amino]-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[1-hydroxyethyl(methyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-[1-hydroxyethyl(methyl)amino]-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-[1-hydroxyethyl(methyl)amino]-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-[1-hydroxyethyl(methyl)amino]-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-[1-hydroxyethyl(methyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Formula: C10H13N3O7S MolecularWeight: 319.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC(N(C)C1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C10H13N3O7S/c1-5(14)12(2)9-7(13(17)18)3-6(10(15)16)4-8(9)21(11,19)20/h3-5,14H,1-2H3,(H,15,16)(H2,11,19,20)