N-[[2-(2-dimethylaminoethyloxy)-5-nitro-phenyl]methyl]propan-1-amine

Systemtic Name: N-[[2-(2-dimethylaminoethyloxy)-5-nitro-phenyl]methyl]propan-1-amine Openeye Name: N-[[2-(2-dimethylaminoethyloxy)-5-nitro-phenyl]methyl]propan-1-amine CAS Name: N-[[2-(2-dimethylaminoethyloxy)-5-nitrophenyl]methyl]-1-propanamine IUPAC Name: N-[[2-(2-dimethylaminoethyloxy)-5-nitrophenyl]methyl]propan-1-amine Traditional Name: dimethyl-[2-[4-nitro-2-(propylaminomethyl)phenoxy]ethyl]amine Formula: C14H23N3O3 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3/c1-4-7-15-11-12-10-13(17(18)19)5-6-14(12)20-9-8-16(2)3/h5-6,10,15H,4,7-9,11H2,1-3H3