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

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]butan-1-amine Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]butan-1-amine CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-1-butanamine IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]butan-1-amine Traditional Name: butyl-(2-methoxy-5-nitro-benzyl)amine Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-3-4-7-13-9-10-8-11(14(15)16)5-6-12(10)17-2/h5-6,8,13H,3-4,7,9H2,1-2H3