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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCC(C)NCC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

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