N-[1-(4-methyl-3-nitro-phenyl)ethyl]prop-2-yn-1-amine

Systemtic Name: N-[1-(4-methyl-3-nitro-phenyl)ethyl]prop-2-yn-1-amine Openeye Name: N-[1-(4-methyl-3-nitro-phenyl)ethyl]prop-2-yn-1-amine CAS Name: N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-propyn-1-amine IUPAC Name: N-[1-(4-methyl-3-nitrophenyl)ethyl]prop-2-yn-1-amine Traditional Name: 1-(4-methyl-3-nitro-phenyl)ethyl-propargyl-amine Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-4-7-13-10(3)11-6-5-9(2)12(8-11)14(15)16/h1,5-6,8,10,13H,7H2,2-3H3