N-methyl-1-[2-(3-methylbutoxy)-5-nitro-phenyl]methanamine

Systemtic Name: N-methyl-1-[2-(3-methylbutoxy)-5-nitro-phenyl]methanamine Openeye Name: 1-(2-isopentyloxy-5-nitro-phenyl)-N-methyl-methanamine CAS Name: N-methyl-1-[2-(3-methylbutoxy)-5-nitrophenyl]methanamine IUPAC Name: N-methyl-1-[2-(3-methylbutoxy)-5-nitrophenyl]methanamine Traditional Name: (2-isoamoxy-5-nitro-benzyl)-methyl-amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

InChI

InChI=1S/C13H20N2O3/c1-10(2)6-7-18-13-5-4-12(15(16)17)8-11(13)9-14-3/h4-5,8,10,14H,6-7,9H2,1-3H3