3-azanyl-4-nitro-quinoline-2-sulfonic acid

Systemtic Name: 3-azanyl-4-nitro-quinoline-2-sulfonic acid Openeye Name: 3-amino-4-nitro-quinoline-2-sulfonic acid CAS Name: 3-amino-4-nitro-2-quinolinesulfonic acid IUPAC Name: 3-amino-4-nitroquinoline-2-sulfonic acid Traditional Name: 3-amino-4-nitro-quinoline-2-sulfonic acid Formula: C9H7N3O5S MolecularWeight: 269.23398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=N2)S(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=N2)S(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O5S/c10-7-8(12(13)14)5-3-1-2-4-6(5)11-9(7)18(15,16)17/h1-4H,10H2,(H,15,16,17)