2-methylpropyl-[2-[2-(4-nitrophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-methylpropyl-[2-[2-(4-nitrophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: isobutyl-[2-[5-isopropyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxo-ethyl]ammonium CAS Name: 2-methylpropyl-[2-[2-(4-nitrophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]ammonium IUPAC Name: 2-methylpropyl-[2-[2-(4-nitrophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]azanium Traditional Name: isobutyl-[2-[3-isopropyl-5-keto-1-(4-nitrophenyl)-3-pyrazolin-4-yl]-2-keto-ethyl]ammonium Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)C[NH2+]CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H24N4O4/c1-11(2)9-19-10-15(23)16-17(12(3)4)20-21(18(16)24)13-5-7-14(8-6-13)22(25)26/h5-8,11-12,19-20H,9-10H2,1-4H3/p+1