4-acetyloxy-8-chloranyl-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepine-2-carboxylic acid

Systemtic Name: 4-acetyloxy-8-chloranyl-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepine-2-carboxylic acid Openeye Name: 4-acetoxy-8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepine-2-carboxylic acid CAS Name: 4-acetyloxy-8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepine-2-carboxylic acid IUPAC Name: 4-acetyloxy-8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepine-2-carboxylic acid Traditional Name: 4-acetoxy-8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepine-2-carboxylic acid Formula: C21H14Cl2N2O4 MolecularWeight: 429.25286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=CN(C=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC(=O)OC1C2=CN(C=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C21H14Cl2N2O4/c1-11(26)29-20-17-10-25(21(27)28)9-16(17)13-7-6-12(22)8-15(13)19(24-20)14-4-2-3-5-18(14)23/h2-10,20H,1H3,(H,27,28)