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

Systemtic Name: N-[(7S)-1,2-dimethoxy-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-3-hydroxy-9-keto-1,2-dimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)O

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)O

InChI

InChI=1S/C20H21NO5/c1-11(22)21-16-8-7-12-9-17(24)19(25-2)20(26-3)18(12)14-6-4-5-13(23)10-15(14)16/h4-6,9-10,16,24H,7-8H2,1-3H3,(H,21,22)/t16-/m0/s1