4-[2-oxidanylidene-3-(2H-1,2,3,4-tetrazol-5-yl)cyclohepta[b]pyrrol-1-yl]butanenitrile

Systemtic Name: 4-[2-oxidanylidene-3-(2H-1,2,3,4-tetrazol-5-yl)cyclohepta[b]pyrrol-1-yl]butanenitrile Openeye Name: 4-[2-oxo-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-1-yl]butanenitrile CAS Name: 4-[2-oxo-3-(2H-tetrazol-5-yl)-1-cyclohepta[b]pyrrolyl]butanenitrile IUPAC Name: 4-[2-oxo-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-1-yl]butanenitrile Traditional Name: 4-[2-keto-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-1-yl]butyronitrile Formula: C14H12N6O MolecularWeight: 280.28468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C(C(=O)N2CCCC#N)C3=NNN=N3)C=C1

Isomeric SMILES

C1=CC=C2C(=C(C(=O)N2CCCC#N)C3=NNN=N3)C=C1

InChI

InChI=1S/C14H12N6O/c15-8-4-5-9-20-11-7-3-1-2-6-10(11)12(14(20)21)13-16-18-19-17-13/h1-3,6-7H,4-5,9H2,(H,16,17,18,19)