N-[(4-methyl-3-nitro-phenyl)methyl]octan-2-amine

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)methyl]octan-2-amine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]octan-2-amine CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-2-octanamine IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]octan-2-amine Traditional Name: 1-methylheptyl-(4-methyl-3-nitro-benzyl)amine Formula: C16H26N2O2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)NCC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O2/c1-4-5-6-7-8-14(3)17-12-15-10-9-13(2)16(11-15)18(19)20/h9-11,14,17H,4-8,12H2,1-3H3