methyl 3-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate

Systemtic Name: methyl 3-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate Openeye Name: methyl 3-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate CAS Name: 3-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carboxylic acid methyl ester IUPAC Name: methyl 3-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate Traditional Name: 3-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carboxylic acid methyl ester Formula: C15H13NO5S MolecularWeight: 319.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=COC3=C(CCC(=C3)[N+](=O)[O-])SC2C=C1

Isomeric SMILES

COC(=O)C1=CC2=COC3=C(CCC(=C3)[N+](=O)[O-])SC2C=C1

InChI

InChI=1S/C15H13NO5S/c1-20-15(17)9-2-4-13-10(6-9)8-21-12-7-11(16(18)19)3-5-14(12)22-13/h2,4,6-8,13H,3,5H2,1H3