8-azanyl-3-[(4-nitrophenyl)carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 8-azanyl-3-[(4-nitrophenyl)carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 8-amino-3-[(4-nitrobenzoyl)amino]naphthalene-1,5-disulfonic acid CAS Name: 8-amino-3-[[(4-nitrophenyl)-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 8-amino-3-[(4-nitrobenzoyl)amino]naphthalene-1,5-disulfonic acid Traditional Name: 8-amino-3-[(4-nitrobenzoyl)amino]naphthalene-1,5-disulfonic acid Formula: C17H13N3O9S2 MolecularWeight: 467.42982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O9S2/c18-13-5-6-14(30(24,25)26)12-7-10(8-15(16(12)13)31(27,28)29)19-17(21)9-1-3-11(4-2-9)20(22)23/h1-8H,18H2,(H,19,21)(H,24,25,26)(H,27,28,29)