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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-5-12(4)19-10-15(23)16-17(11(2)3)20-21(18(16)24)13-6-8-14(9-7-13)22(25)26/h6-9,11-12,19-20H,5,10H2,1-4H3/p+1/t12-/m0/s1