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

Systemtic Name: [2-[2-(4-nitrophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: [2-[5-isopropyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxo-ethyl]-propyl-ammonium CAS Name: [2-[2-(4-nitrophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-propylammonium IUPAC Name: [2-[2-(4-nitrophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-propylazanium Traditional Name: [2-[3-isopropyl-5-keto-1-(4-nitrophenyl)-3-pyrazolin-4-yl]-2-keto-ethyl]-propyl-ammonium Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-4-9-18-10-14(22)15-16(11(2)3)19-20(17(15)23)12-5-7-13(8-6-12)21(24)25/h5-8,11,18-19H,4,9-10H2,1-3H3/p+1