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

Systemtic Name: 4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]naphthalene-1,7-disulfonic acid; sodium Openeye Name: 4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid; sodium CAS Name: 4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,7-disulfonic acid; sodium IUPAC Name: 4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid; sodium Traditional Name: 4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid; sodium Formula: C22H19N5NaO10S2 MolecularWeight: 600.53353

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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)NC(=O)C4=CC(=CN4C)[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)NC(=O)C4=CC(=CN4C)[N+](=O)[O-].[Na]

InChI

InChI=1S/C22H19N5O10S2.Na/c1-25-10-12(23-21(28)19-8-13(27(30)31)11-26(19)2)7-18(25)22(29)24-17-5-6-20(39(35,36)37)16-9-14(38(32,33)34)3-4-15(16)17;/h3-11H,1-2H3,(H,23,28)(H,24,29)(H,32,33,34)(H,35,36,37);