ethyl 1-acetyloxy-7-(1,3-benzodioxol-5-yl)-4-methyl-9-oxidanylidene-8-azabicyclo[4.2.1]nona-3,7-diene-6-carboxylate

Systemtic Name: ethyl 1-acetyloxy-7-(1,3-benzodioxol-5-yl)-4-methyl-9-oxidanylidene-8-azabicyclo[4.2.1]nona-3,7-diene-6-carboxylate Openeye Name: ethyl 1-acetoxy-7-(1,3-benzodioxol-5-yl)-4-methyl-9-oxo-8-azabicyclo[4.2.1]nona-3,7-diene-6-carboxylate CAS Name: 1-acetyloxy-7-(1,3-benzodioxol-5-yl)-4-methyl-9-oxo-8-azabicyclo[4.2.1]nona-3,7-diene-6-carboxylic acid ethyl ester IUPAC Name: ethyl 1-acetyloxy-7-(1,3-benzodioxol-5-yl)-4-methyl-9-oxo-8-azabicyclo[4.2.1]nona-3,7-diene-6-carboxylate Traditional Name: 1-acetoxy-7-(1,3-benzodioxol-5-yl)-9-keto-4-methyl-8-azabicyclo[4.2.1]nona-3,7-diene-6-carboxylic acid ethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(=CCC(C1=O)(N=C2C3=CC4=C(C=C3)OCO4)OC(=O)C)C

Isomeric SMILES

CCOC(=O)C12CC(=CCC(C1=O)(N=C2C3=CC4=C(C=C3)OCO4)OC(=O)C)C

InChI

InChI=1S/C21H21NO7/c1-4-26-19(25)20-10-12(2)7-8-21(18(20)24,29-13(3)23)22-17(20)14-5-6-15-16(9-14)28-11-27-15/h5-7,9H,4,8,10-11H2,1-3H3