7-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 7-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C22H19N5O13S3 MolecularWeight: 657.60696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O13S3/c1-25-9-12(24-22(29)18-6-13(27(30)31)10-26(18)2)4-17(25)21(28)23-11-3-15-16(19(5-11)42(35,36)37)7-14(41(32,33)34)8-20(15)43(38,39)40/h3-10H,1-2H3,(H,23,28)(H,24,29)(H,32,33,34)(H,35,36,37)(H,38,39,40)