3-[(4-azanyl-3-nitro-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-azanyl-3-nitro-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(4-amino-3-nitro-anilino)propane-1-sulfonic acid CAS Name: 3-(4-amino-3-nitroanilino)-1-propanesulfonic acid IUPAC Name: 3-(4-amino-3-nitroanilino)propane-1-sulfonic acid Traditional Name: 3-(4-amino-3-nitro-anilino)propane-1-sulfonic acid Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCS(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1NCCCS(=O)(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C9H13N3O5S/c10-8-3-2-7(6-9(8)12(13)14)11-4-1-5-18(15,16)17/h2-3,6,11H,1,4-5,10H2,(H,15,16,17)