N-[(4-methyl-3-nitro-phenyl)methyl]butan-1-amine

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)methyl]butan-1-amine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]butan-1-amine CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-butanamine IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]butan-1-amine Traditional Name: butyl-(4-methyl-3-nitro-benzyl)amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNCC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-3-4-7-13-9-11-6-5-10(2)12(8-11)14(15)16/h5-6,8,13H,3-4,7,9H2,1-2H3