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

Systemtic Name: [2-[2-(4-nitrophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[5-isopropyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxo-ethyl]ammonium CAS Name: [2-[2-(4-nitrophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[2-(4-nitrophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]azanium Traditional Name: benzyl-[2-[3-isopropyl-5-keto-1-(4-nitrophenyl)-3-pyrazolin-4-yl]-2-keto-ethyl]ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-14(2)20-19(18(26)13-22-12-15-6-4-3-5-7-15)21(27)24(23-20)16-8-10-17(11-9-16)25(28)29/h3-11,14,22-23H,12-13H2,1-2H3/p+1