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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCC[NH2+]CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-2-3-13-22-14-18(26)19-20(15-7-5-4-6-8-15)23-24(21(19)27)16-9-11-17(12-10-16)25(28)29/h4-12,22-23H,2-3,13-14H2,1H3/p+1