4-[(9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(9-oxo-11-oxa-3,8-diazaspiro[5.5]undecane-3-carbonyl)benzonitrile CAS Name: 4-[oxo-(9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl)methyl]benzonitrile IUPAC Name: 4-(9-oxo-11-oxa-3,8-diazaspiro[5.5]undecane-3-carbonyl)benzonitrile Traditional Name: 4-(9-keto-11-oxa-3,8-diazaspiro[5.5]undecane-3-carbonyl)benzonitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CNC(=O)CO2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC12CNC(=O)CO2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17N3O3/c17-9-12-1-3-13(4-2-12)15(21)19-7-5-16(6-8-19)11-18-14(20)10-22-16/h1-4H,5-8,10-11H2,(H,18,20)