4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonic acid; sodium

Systemtic Name: 4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonic acid; sodium Openeye Name: 4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid; sodium CAS Name: 4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]naphthalene-1,7-disulfonic acid; sodium IUPAC Name: 4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid; sodium Traditional Name: 4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid; sodium Formula: C16H13N3NaO9S2 MolecularWeight: 478.40889

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-].[Na]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-].[Na]

InChI

InChI=1S/C16H13N3O9S2.Na/c1-18-8-9(19(21)22)6-14(18)16(20)17-13-4-5-15(30(26,27)28)12-7-10(29(23,24)25)2-3-11(12)13;/h2-8H,1H3,(H,17,20)(H,23,24,25)(H,26,27,28);