2-[(4-azanyl-2-nitro-phenyl)-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(4-azanyl-2-nitro-phenyl)-methyl-amino]ethanesulfonic acid Openeye Name: 2-(4-amino-N-methyl-2-nitro-anilino)ethanesulfonic acid CAS Name: 2-(4-amino-N-methyl-2-nitroanilino)ethanesulfonic acid IUPAC Name: 2-(4-amino-N-methyl-2-nitroanilino)ethanesulfonic acid Traditional Name: 2-(4-amino-N-methyl-2-nitro-anilino)ethanesulfonic acid Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)C1=C(C=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCS(=O)(=O)O)C1=C(C=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O5S/c1-11(4-5-18(15,16)17)8-3-2-7(10)6-9(8)12(13)14/h2-3,6H,4-5,10H2,1H3,(H,15,16,17)