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

Systemtic Name: N-methyl-1-[3-nitro-4-(oxolan-2-ylmethoxy)phenyl]methanamine Openeye Name: N-methyl-1-[3-nitro-4-(tetrahydrofuran-2-ylmethoxy)phenyl]methanamine CAS Name: N-methyl-1-[3-nitro-4-(2-oxolanylmethoxy)phenyl]methanamine IUPAC Name: N-methyl-1-[3-nitro-4-(oxolan-2-ylmethoxy)phenyl]methanamine Traditional Name: methyl-[3-nitro-4-(tetrahydrofurfuryloxy)benzyl]amine Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)OCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC(=C(C=C1)OCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-14-8-10-4-5-13(12(7-10)15(16)17)19-9-11-3-2-6-18-11/h4-5,7,11,14H,2-3,6,8-9H2,1H3