N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]prop-2-en-1-amine

Systemtic Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]prop-2-en-1-amine Openeye Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]prop-2-en-1-amine CAS Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]-2-propen-1-amine IUPAC Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]prop-2-en-1-amine Traditional Name: allyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]amine Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC[C@H]1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-2-5-14-7-13-18-8-10-3-4-12(15(16)17)6-11(10)9-19-13/h2-4,6,13-14H,1,5,7-9H2/t13-/m0/s1