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

Systemtic Name: ethyl 2-(2-oxidanylidene-3H-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate CAS Name: 2-(2-oxo-3H-benzimidazol-1-yl)-3-cyclohepta[b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 2-(2-keto-3H-benzimidazol-1-yl)cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H15N3O3/c1-2-25-18(23)16-12-8-4-3-5-9-13(12)20-17(16)22-15-11-7-6-10-14(15)21-19(22)24/h3-11H,2H2,1H3,(H,21,24)