3-ethanoyl-6-methyl-5-oxidanylidene-10-oxa-4-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene-7-carboxylic acid

Systemtic Name: 3-ethanoyl-6-methyl-5-oxidanylidene-10-oxa-4-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene-7-carboxylic acid Openeye Name: 3-acetyl-6-methyl-5-oxo-10-oxa-4-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene-7-carboxylic acid CAS Name: 3-acetyl-6-methyl-5-oxo-10-oxa-4-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene-7-carboxylic acid IUPAC Name: 3-acetyl-6-methyl-5-oxo-10-oxa-4-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene-7-carboxylic acid Traditional Name: 3-acetyl-5-keto-6-methyl-10-oxa-4-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene-7-carboxylic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCOC2=CC=C(CC(NC1=O)C(=O)C)C=C2)C(=O)O

Isomeric SMILES

CC1C(CCOC2=CC=C(CC(NC1=O)C(=O)C)C=C2)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-10-14(17(21)22)7-8-23-13-5-3-12(4-6-13)9-15(11(2)19)18-16(10)20/h3-6,10,14-15H,7-9H2,1-2H3,(H,18,20)(H,21,22)