7-[(3-nitrophenyl)carbonylamino]-8-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[(3-nitrophenyl)carbonylamino]-8-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 8-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 8-hydroxy-7-[[(3-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 8-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Formula: C17H12N2O7S MolecularWeight: 388.35138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C3=C(C=CC(=C3)S(=O)(=O)O)C=C2)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C3=C(C=CC(=C3)S(=O)(=O)O)C=C2)O

InChI

InChI=1S/C17H12N2O7S/c20-16-14-9-13(27(24,25)26)6-4-10(14)5-7-15(16)18-17(21)11-2-1-3-12(8-11)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)