[(4R)-1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneazanium

Systemtic Name: [(4R)-1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneazanium Openeye Name: [(4R)-1-(4-nitrophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyleneammonium CAS Name: [(4R)-1-(4-nitrophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneammonium IUPAC Name: [(4R)-1-(4-nitrophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneazanium Traditional Name: [(4R)-5-keto-1-(4-nitrophenyl)-3-propyl-2-pyrazolin-4-yl]methyleneammonium Formula: C13H15N4O3+ MolecularWeight: 275.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=[NH2+])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=[NH2+])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3/c1-2-3-12-11(8-14)13(18)16(15-12)9-4-6-10(7-5-9)17(19)20/h4-8,11,14H,2-3H2,1H3/p+1/t11-/m1/s1