diethyl-[3-[[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]propyl]azanium Openeye Name: diethyl-[3-[[1-(4-nitrophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]propyl]ammonium CAS Name: diethyl-[3-[[1-(4-nitrophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]propyl]ammonium IUPAC Name: diethyl-[3-[[1-(4-nitrophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]propyl]azanium Traditional Name: diethyl-[3-[[5-keto-1-(4-nitrophenyl)-3-propyl-2-pyrazolin-4-ylidene]methylamino]propyl]ammonium Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC[NH+](CC)CC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCC[NH+](CC)CC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O3/c1-4-8-19-18(15-21-13-7-14-23(5-2)6-3)20(26)24(22-19)16-9-11-17(12-10-16)25(27)28/h9-12,15,21H,4-8,13-14H2,1-3H3/p+1