N-[(3-nitro-4-propan-2-yloxy-phenyl)methyl]propan-1-amine

Systemtic Name: N-[(3-nitro-4-propan-2-yloxy-phenyl)methyl]propan-1-amine Openeye Name: N-[(4-isopropoxy-3-nitro-phenyl)methyl]propan-1-amine CAS Name: N-[(3-nitro-4-propan-2-yloxyphenyl)methyl]-1-propanamine IUPAC Name: N-[(3-nitro-4-propan-2-yloxyphenyl)methyl]propan-1-amine Traditional Name: (4-isopropoxy-3-nitro-benzyl)-propyl-amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC(=C(C=C1)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNCC1=CC(=C(C=C1)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-4-7-14-9-11-5-6-13(18-10(2)3)12(8-11)15(16)17/h5-6,8,10,14H,4,7,9H2,1-3H3