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

Systemtic Name: N-methyl-1-[4-(3-methylbutoxy)-3-nitro-phenyl]methanamine Openeye Name: 1-(4-isopentyloxy-3-nitro-phenyl)-N-methyl-methanamine CAS Name: N-methyl-1-[4-(3-methylbutoxy)-3-nitrophenyl]methanamine IUPAC Name: N-methyl-1-[4-(3-methylbutoxy)-3-nitrophenyl]methanamine Traditional Name: (4-isoamoxy-3-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)CNC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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