N-ethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine

Systemtic Name: N-ethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Openeye Name: N-ethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine CAS Name: N-ethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine IUPAC Name: N-ethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Traditional Name: diethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

CCN(CC)CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

InChI=1S/C13H18N2O4/c1-3-14(4-2)7-10-5-12(15(16)17)6-11-8-18-9-19-13(10)11/h5-6H,3-4,7-9H2,1-2H3