N-(furan-2-ylmethyl)-1-[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methanamine

Systemtic Name: N-(furan-2-ylmethyl)-1-[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methanamine Openeye Name: N-(2-furylmethyl)-1-[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methanamine CAS Name: N-(2-furanylmethyl)-1-[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methanamine IUPAC Name: N-(furan-2-ylmethyl)-1-[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methanamine Traditional Name: 2-furfuryl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]amine Formula: C15H16N2O5 MolecularWeight: 304.29794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(COC(O1)CNCC3=CC=CO3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(CO[C@H](O1)CNCC3=CC=CO3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5/c18-17(19)13-4-3-11-9-21-15(22-10-12(11)6-13)8-16-7-14-2-1-5-20-14/h1-6,15-16H,7-10H2/t15-/m0/s1