methyl 4-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate

Systemtic Name: methyl 4-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate Openeye Name: methyl 4-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate CAS Name: 4-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carboxylic acid methyl ester IUPAC Name: methyl 4-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate Traditional Name: 4-nitro-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carboxylic acid methyl ester Formula: C15H13NO5S MolecularWeight: 319.33242

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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)9-5-6-12-10(7-9)8-21-14-11(16(18)19)3-2-4-13(14)22-12/h3,5-8,12H,2,4H2,1H3