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

Systemtic Name: furan-2-ylmethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Openeye Name: 2-furylmethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium CAS Name: 2-furanylmethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium IUPAC Name: furan-2-ylmethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Traditional Name: 2-furfuryl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium Formula: C15H17N2O5+ MolecularWeight: 305.30588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(COC(O1)C[NH2+]CC3=CC=CO3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(CO[C@H](O1)C[NH2+]CC3=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/p+1/t15-/m0/s1