2,4-dinitro-N-(phenylmethyl)cyclohexan-1-amine

Systemtic Name: 2,4-dinitro-N-(phenylmethyl)cyclohexan-1-amine Openeye Name: N-benzyl-2,4-dinitro-cyclohexanamine CAS Name: 2,4-dinitro-N-(phenylmethyl)-1-cyclohexanamine IUPAC Name: N-benzyl-2,4-dinitrocyclohexan-1-amine Traditional Name: benzyl-(2,4-dinitrocyclohexyl)amine Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1[N+](=O)[O-])[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C1CC(C(CC1[N+](=O)[O-])[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O4/c17-15(18)11-6-7-12(13(8-11)16(19)20)14-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2