ethyl 2-(3-ethanoyl-2-oxidanylidene-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(3-ethanoyl-2-oxidanylidene-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 2-(3-acetyl-2-oxo-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate CAS Name: 2-(3-acetyl-2-oxo-1-benzimidazolyl)-3-cyclohepta[b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-acetyl-2-oxobenzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 2-(3-acetyl-2-keto-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N3C4=CC=CC=C4N(C3=O)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N3C4=CC=CC=C4N(C3=O)C(=O)C

InChI

InChI=1S/C21H17N3O4/c1-3-28-20(26)18-14-9-5-4-6-10-15(14)22-19(18)24-17-12-8-7-11-16(17)23(13(2)25)21(24)27/h4-12H,3H2,1-2H3