N-methyl-1-[4-(2-methylpropoxy)-3-nitro-phenyl]methanamine

Systemtic Name: N-methyl-1-[4-(2-methylpropoxy)-3-nitro-phenyl]methanamine Openeye Name: 1-(4-isobutoxy-3-nitro-phenyl)-N-methyl-methanamine CAS Name: N-methyl-1-[4-(2-methylpropoxy)-3-nitrophenyl]methanamine IUPAC Name: N-methyl-1-[4-(2-methylpropoxy)-3-nitrophenyl]methanamine Traditional Name: (4-isobutoxy-3-nitro-benzyl)-methyl-amine Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CNC)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CNC)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-9(2)8-17-12-5-4-10(7-13-3)6-11(12)14(15)16/h4-6,9,13H,7-8H2,1-3H3