7-[[4-[(5-azanyl-2-methyl-pyrazol-3-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[4-[(5-azanyl-2-methyl-pyrazol-3-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[[4-[(5-amino-2-methyl-pyrazole-3-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[[4-[[(5-amino-2-methyl-3-pyrazolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[4-[(5-amino-2-methylpyrazole-3-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[[4-[(5-amino-2-methyl-pyrazole-3-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid Formula: C21H20N6O8S2 MolecularWeight: 548.5489

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=NN4C)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=NN4C)N

InChI

InChI=1S/C21H20N6O8S2/c1-26-10-13(24-21(29)17-9-19(22)25-27(17)2)7-16(26)20(28)23-12-4-3-11-5-14(36(30,31)32)8-18(15(11)6-12)37(33,34)35/h3-10H,1-2H3,(H2,22,25)(H,23,28)(H,24,29)(H,30,31,32)(H,33,34,35)