7-aminocarbonyl-9-(3,4-dimethoxyphenyl)benzo[g][1,3]benzodioxole-8-carboxylic acid

Systemtic Name: 7-aminocarbonyl-9-(3,4-dimethoxyphenyl)benzo[g][1,3]benzodioxole-8-carboxylic acid Openeye Name: 7-carbamoyl-9-(3,4-dimethoxyphenyl)benzo[g][1,3]benzodioxole-8-carboxylic acid CAS Name: 7-carbamoyl-9-(3,4-dimethoxyphenyl)-8-benzo[g][1,3]benzodioxolecarboxylic acid IUPAC Name: 7-carbamoyl-9-(3,4-dimethoxyphenyl)benzo[g][1,3]benzodioxole-8-carboxylic acid Traditional Name: 7-carbamoyl-9-(3,4-dimethoxyphenyl)benzo[g][1,3]benzodioxole-8-carboxylic acid Formula: C21H17NO7 MolecularWeight: 395.36218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=CC(=C2C(=O)O)C(=O)N)C=CC4=C3OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=CC(=C2C(=O)O)C(=O)N)C=CC4=C3OCO4)OC

InChI

InChI=1S/C21H17NO7/c1-26-13-5-3-11(8-15(13)27-2)16-17-10(4-6-14-19(17)29-9-28-14)7-12(20(22)23)18(16)21(24)25/h3-8H,9H2,1-2H3,(H2,22,23)(H,24,25)