1,3-dinitro-5-(trifluoromethyl)benzene; N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine

Systemtic Name: 1,3-dinitro-5-(trifluoromethyl)benzene; N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine Openeye Name: 1,3-dinitro-5-(trifluoromethyl)benzene; N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine CAS Name: 1,3-dinitro-5-(trifluoromethyl)benzene; N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine IUPAC Name: 1,3-dinitro-5-(trifluoromethyl)benzene; N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine Traditional Name: 1,3-dinitro-5-(trifluoromethyl)benzene; methyl-(1-phenyl-2-pyrazolin-3-yl)amine Formula: C17H16F3N5O4 MolecularWeight: 411.33525

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN(CC1)C2=CC=CC=C2.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CNC1=NN(CC1)C2=CC=CC=C2.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H13N3.C7H3F3N2O4/c1-11-10-7-8-13(12-10)9-5-3-2-4-6-9;8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h2-6H,7-8H2,1H3,(H,11,12);1-3H