N-[(2-methyl-3-nitro-phenyl)methyl]butan-1-amine

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]butan-1-amine Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]butan-1-amine CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-1-butanamine IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]butan-1-amine Traditional Name: butyl-(2-methyl-3-nitro-benzyl)amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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