ethyl 5-acetyloxy-1,2-dimethyl-6,8-diphenyl-pyrrolo[2,3-e]indazole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-1,2-dimethyl-6,8-diphenyl-pyrrolo[2,3-e]indazole-3-carboxylate Openeye Name: ethyl 5-acetoxy-1,2-dimethyl-6,8-diphenyl-pyrrolo[2,3-e]indazole-3-carboxylate CAS Name: 5-acetyloxy-1,2-dimethyl-6,8-diphenyl-3-pyrrolo[2,3-e]indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1,2-dimethyl-6,8-diphenylpyrrolo[2,3-e]indazole-3-carboxylate Traditional Name: 5-acetoxy-1,2-dimethyl-6,8-diphenyl-pyrrol[2,3-e]indazole-3-carboxylic acid ethyl ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)OC(=O)C)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)OC(=O)C)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H25N3O4/c1-5-34-28(33)23-17(2)30(4)26-21(23)16-22(35-18(3)32)27-24(26)25(19-12-8-6-9-13-19)29-31(27)20-14-10-7-11-15-20/h6-16H,5H2,1-4H3