tripotassium 3-[[3,5-bis[(5-carboxylato-1H-pyrazol-3-yl)carbamoyl]phenyl]carbonylamino]-1H-pyrazole-5-carboxylate

Systemtic Name: tripotassium 3-[[3,5-bis[(5-carboxylato-1H-pyrazol-3-yl)carbamoyl]phenyl]carbonylamino]-1H-pyrazole-5-carboxylate Openeye Name: tripotassium 3-[[3,5-bis[(5-carboxylato-1H-pyrazol-3-yl)carbamoyl]benzoyl]amino]-1H-pyrazole-5-carboxylate CAS Name: tripotassium 3-[[[3,5-bis[[(5-carboxylato-1H-pyrazol-3-yl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-1H-pyrazole-5-carboxylate IUPAC Name: tripotassium 3-[[3,5-bis[(5-carboxylato-1H-pyrazol-3-yl)carbamoyl]benzoyl]amino]-1H-pyrazole-5-carboxylate Traditional Name: tripotassium 3-[[3,5-bis[(5-carboxylato-1H-pyrazol-3-yl)carbamoyl]benzoyl]amino]-1H-pyrazole-5-carboxylate Formula: C21H12K3N9O9 MolecularWeight: 651.66978

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NC2=NNC(=C2)C(=O)[O-])C(=O)NC3=NNC(=C3)C(=O)[O-])C(=O)NC4=NNC(=C4)C(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NC2=NNC(=C2)C(=O)[O-])C(=O)NC3=NNC(=C3)C(=O)[O-])C(=O)NC4=NNC(=C4)C(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C21H15N9O9.3K/c31-16(22-13-4-10(19(34)35)25-28-13)7-1-8(17(32)23-14-5-11(20(36)37)26-29-14)3-9(2-7)18(33)24-15-6-12(21(38)39)27-30-15;;;/h1-6H,(H,34,35)(H,36,37)(H,38,39)(H2,22,25,28,31)(H2,23,26,29,32)(H2,24,27,30,33);;;/q;3*+1/p-3