N-[(2-methoxy-5-nitro-phenyl)methyl]pentan-1-amine

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]pentan-1-amine Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]pentan-1-amine CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-1-pentanamine IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]pentan-1-amine Traditional Name: amyl-(2-methoxy-5-nitro-benzyl)amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-3-4-5-8-14-10-11-9-12(15(16)17)6-7-13(11)18-2/h6-7,9,14H,3-5,8,10H2,1-2H3