N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine; 1,3,5-trinitrobenzene

Systemtic Name: N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine; 1,3,5-trinitrobenzene Openeye Name: N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine; 1,3,5-trinitrobenzene CAS Name: N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine; 1,3,5-trinitrobenzene IUPAC Name: N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine; 1,3,5-trinitrobenzene Traditional Name: methyl-(1-phenyl-2-pyrazolin-3-yl)amine; 1,3,5-trinitrobenzene Formula: C16H16N6O6 MolecularWeight: 388.33484

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3.C6H3N3O6/c1-11-10-7-8-13(12-10)9-5-3-2-4-6-9;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-6H,7-8H2,1H3,(H,11,12);1-3H