6-[5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-methyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-methyl-4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-methyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-methyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrazol-1-yl]pyridazin-3-olate Formula: C19H18N7O4- MolecularWeight: 408.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O4/c1-13-14(12-20-25(13)17-6-7-18(27)22-21-17)19(28)24-10-8-23(9-11-24)15-4-2-3-5-16(15)26(29)30/h2-7,12H,8-11H2,1H3,(H,22,27)/p-1