8-[(3-nitrophenyl)carbonylamino]-5-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 8-[(3-nitrophenyl)carbonylamino]-5-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-8-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 5-hydroxy-8-[[(3-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-8-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 5-hydroxy-8-[(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=C3C=C(C=CC3=C(C=C2)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C3C=C(C=CC3=C(C=C2)O)S(=O)(=O)O

InChI

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