5-azanyl-8-[(4-nitrophenyl)carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-azanyl-8-[(4-nitrophenyl)carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-amino-8-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 5-amino-8-[[(4-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-amino-8-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 5-amino-8-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c18-15-7-8-16(14-9-12(27(24,25)26)5-6-13(14)15)19-17(21)10-1-3-11(4-2-10)20(22)23/h1-9H,18H2,(H,19,21)(H,24,25,26)