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

Systemtic Name: dimethyl-[[3-(5-nitrofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]azanium perchlorate Openeye Name: dimethyl-[[3-(5-nitro-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]ammonium perchlorate CAS Name: dimethyl-[[3-(5-nitro-2-furanyl)-1-phenyl-4-pyrazolyl]methylidene]ammonium perchlorate IUPAC Name: dimethyl-[[3-(5-nitrofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]azanium perchlorate Traditional Name: dimethyl-[[3-(5-nitro-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]ammonium perchlorate Formula: C16H15ClN4O7 MolecularWeight: 410.7659

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CC1=CN(N=C1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+](=CC1=CN(N=C1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H15N4O3.ClHO4/c1-18(2)10-12-11-19(13-6-4-3-5-7-13)17-16(12)14-8-9-15(23-14)20(21)22;2-1(3,4)5/h3-11H,1-2H3;(H,2,3,4,5)/q+1;/p-1