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

Systemtic Name: N-[(3-nitro-4-propoxy-phenyl)methyl]propan-2-amine Openeye Name: N-[(3-nitro-4-propoxy-phenyl)methyl]propan-2-amine CAS Name: N-[(3-nitro-4-propoxyphenyl)methyl]-2-propanamine IUPAC Name: N-[(3-nitro-4-propoxyphenyl)methyl]propan-2-amine Traditional Name: isopropyl-(3-nitro-4-propoxy-benzyl)amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(C)C)[N+](=O)[O-]

InChI

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