1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid CAS Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=NN=C1C(=O)O)C3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=NN=C1C(=O)O)C3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-6-13-14-10-18(29-4)19(30-5)11-15(14)20(23-24-21(13)22(25)26)12-7-8-16(27-2)17(9-12)28-3/h7-11,13H,6H2,1-5H3,(H,25,26)