4-(3-nitro-6-oxidanylidene-piperidin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(3-nitro-6-oxidanylidene-piperidin-2-yl)benzenecarbonitrile Openeye Name: 4-(3-nitro-6-oxo-2-piperidyl)benzonitrile CAS Name: 4-(3-nitro-6-oxo-2-piperidinyl)benzonitrile IUPAC Name: 4-(3-nitro-6-oxopiperidin-2-yl)benzonitrile Traditional Name: 4-(6-keto-3-nitro-2-piperidyl)benzonitrile Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H11N3O3/c13-7-8-1-3-9(4-2-8)12-10(15(17)18)5-6-11(16)14-12/h1-4,10,12H,5-6H2,(H,14,16)