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

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]pentan-1-amine Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]pentan-1-amine CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-1-pentanamine IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]pentan-1-amine Traditional Name: amyl-(2-methyl-3-nitro-benzyl)amine Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=C(C(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCNCC1=C(C(=CC=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N2O2/c1-3-4-5-9-14-10-12-7-6-8-13(11(12)2)15(16)17/h6-8,14H,3-5,9-10H2,1-2H3