methyl (6E,10S)-9-ethanoyl-7-ethenyl-10-(nitromethyl)-8,10-dihydro-5H-benzo[8]annulene-9-carboxylate

Systemtic Name: methyl (6E,10S)-9-ethanoyl-7-ethenyl-10-(nitromethyl)-8,10-dihydro-5H-benzo[8]annulene-9-carboxylate Openeye Name: methyl (6E,10S)-9-acetyl-10-(nitromethyl)-7-vinyl-8,10-dihydro-5H-benzo[8]annulene-9-carboxylate CAS Name: (6E,10S)-9-acetyl-7-ethenyl-10-(nitromethyl)-8,10-dihydro-5H-benzo[8]annulene-9-carboxylic acid methyl ester IUPAC Name: methyl (6E,10S)-9-acetyl-7-ethenyl-10-(nitromethyl)-8,10-dihydro-5H-benzo[8]annulene-9-carboxylate Traditional Name: (6E,10S)-9-acetyl-10-(nitromethyl)-7-vinyl-8,10-dihydro-5H-benzocyclooctene-9-carboxylic acid methyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(=CCC2=CC=CC=C2C1C[N+](=O)[O-])C=C)C(=O)OC

Isomeric SMILES

CC(=O)C1(C/C(=C\CC2=CC=CC=C2[C@@H]1C[N+](=O)[O-])/C=C)C(=O)OC

InChI

InChI=1S/C19H21NO5/c1-4-14-9-10-15-7-5-6-8-16(15)17(12-20(23)24)19(11-14,13(2)21)18(22)25-3/h4-9,17H,1,10-12H2,2-3H3/b14-9-/t17-,19?/m0/s1