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

Systemtic Name: 8-azanyl-5-[(3-nitrophenyl)carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 8-amino-5-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 8-amino-5-[[(3-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 8-amino-5-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 8-amino-5-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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