5-[(3-nitrophenyl)carbonylamino]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 5-[(3-nitrophenyl)carbonylamino]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-5-[(3-nitrobenzoyl)amino]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-5-[[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-5-[(3-nitrobenzoyl)amino]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-5-[(3-nitrobenzoyl)amino]naphthalene-1-sulfonic acid Formula: C17H12N2O7S MolecularWeight: 388.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C(C=CC(=C32)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C(C=CC(=C32)O)S(=O)(=O)O

InChI

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