5-methyl-4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-2-(4-nitrophenyl)pyrazol-3-olate

Systemtic Name: 5-methyl-4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-2-(4-nitrophenyl)pyrazol-3-olate Openeye Name: 4-(N-isobutyl-C-methyl-carbonimidoyl)-5-methyl-2-(4-nitrophenyl)pyrazol-3-olate CAS Name: 5-methyl-4-[1-(2-methylpropylimino)ethyl]-2-(4-nitrophenyl)-3-pyrazololate IUPAC Name: 5-methyl-4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-2-(4-nitrophenyl)pyrazol-3-olate Traditional Name: 4-(N-isobutyl-C-methyl-carbonimidoyl)-5-methyl-2-(4-nitrophenyl)pyrazol-3-olate Formula: C16H19N4O3- MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NCC(C)C)C)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1C(=NCC(C)C)C)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-10(2)9-17-11(3)15-12(4)18-19(16(15)21)13-5-7-14(8-6-13)20(22)23/h5-8,10,21H,9H2,1-4H3/p-1