2-azanyl-5-nitro-cyclohexa-2,4-dien-1-one; 4-oxidanylnaphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-5-nitro-cyclohexa-2,4-dien-1-one; 4-oxidanylnaphthalene-1-sulfonic acid Openeye Name: 2-amino-5-nitro-cyclohexa-2,4-dien-1-one; 4-hydroxynaphthalene-1-sulfonic acid CAS Name: 2-amino-5-nitro-1-cyclohexa-2,4-dienone; 4-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 2-amino-5-nitrocyclohexa-2,4-dien-1-one; 4-hydroxynaphthalene-1-sulfonic acid Traditional Name: 2-amino-5-nitro-cyclohexa-2,4-dien-1-one; 4-hydroxynaphthalene-1-sulfonic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1=O)N)[N+](=O)[O-].C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)O

Isomeric SMILES

C1C(=CC=C(C1=O)N)[N+](=O)[O-].C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)O

InChI

InChI=1S/C10H8O4S.C6H6N2O3/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;7-5-2-1-4(8(10)11)3-6(5)9/h1-6,11H,(H,12,13,14);1-2H,3,7H2