ethyl (3Z)-3-[(1H-benzimidazol-2-ylamino)methylidene]-2-oxidanylidene-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl (3Z)-3-[(1H-benzimidazol-2-ylamino)methylidene]-2-oxidanylidene-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl (3Z)-3-[(1H-benzimidazol-2-ylamino)methylene]-2-oxo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: (3Z)-3-[(1H-benzimidazol-2-ylamino)methylidene]-2-oxo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3Z)-3-[(1H-benzimidazol-2-ylamino)methylidene]-2-oxo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: (3Z)-3-[(1H-benzimidazol-2-ylamino)methylene]-2-keto-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1)C(=CNC3=NC4=CC=CC=C4N3)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1)/C(=C/NC3=NC4=CC=CC=C4N3)/C(=O)N2

InChI

InChI=1S/C18H15N5O3/c1-2-26-17(25)10-7-11-12(16(24)23-15(11)19-8-10)9-20-18-21-13-5-3-4-6-14(13)22-18/h3-9H,2H2,1H3,(H,19,23,24)(H2,20,21,22)/b12-9-