N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-(3-methylphenyl)-3,4-dihydropyrazol-5-amine

Systemtic Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-(3-methylphenyl)-3,4-dihydropyrazol-5-amine Openeye Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-(m-tolyl)-3,4-dihydropyrazol-5-amine CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-(3-methylphenyl)-3,4-dihydropyrazol-5-amine IUPAC Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-(3-methylphenyl)-3,4-dihydropyrazol-5-amine Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[1-(m-tolyl)-2-pyrazolin-3-yl]amine Formula: C17H14F3N5O4 MolecularWeight: 409.31937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCC(=N2)NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCC(=N2)NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N5O4/c1-10-3-2-4-12(7-10)23-6-5-15(22-23)21-16-13(24(26)27)8-11(17(18,19)20)9-14(16)25(28)29/h2-4,7-9H,5-6H2,1H3,(H,21,22)