N-[(7S)-9-bromanyl-1,2,3-trimethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-9-bromanyl-1,2,3-trimethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-9-bromo-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-9-bromo-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-9-bromo-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-9-bromo-10-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)Br)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)Br)OC)OC)OC

InChI

InChI=1S/C21H22BrNO5/c1-11(24)23-16-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-17(25)15(22)10-14(13)16/h6,8-10,16H,5,7H2,1-4H3,(H,23,24)/t16-/m0/s1