[1-methoxycarbonyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylidene-dimethyl-azanium perchlorate

Systemtic Name: [1-methoxycarbonyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylidene-dimethyl-azanium perchlorate Openeye Name: [1-methoxycarbonyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methylene-dimethyl-ammonium perchlorate CAS Name: [1-methoxycarbonyl-3-(5-nitro-2-furanyl)-4-pyrazolyl]methylidene-dimethylammonium perchlorate IUPAC Name: [1-methoxycarbonyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylidene-dimethylazanium perchlorate Traditional Name: [1-carbomethoxy-3-(5-nitro-2-furyl)pyrazol-4-yl]methylene-dimethyl-ammonium perchlorate Formula: C12H13ClN4O9 MolecularWeight: 392.70602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CC1=CN(N=C1C2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+](=CC1=CN(N=C1C2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H13N4O5.ClHO4/c1-14(2)6-8-7-15(12(17)20-3)13-11(8)9-4-5-10(21-9)16(18)19;2-1(3,4)5/h4-7H,1-3H3;(H,2,3,4,5)/q+1;/p-1