(2Z)-2-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-3-oxidanyl-butanedinitrile

Systemtic Name: (2Z)-2-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-3-oxidanyl-butanedinitrile Openeye Name: (3Z)-2-hydroxy-3-[[3-nitro-4-(1-piperidyl)phenyl]methylene]butanedinitrile CAS Name: (3Z)-2-hydroxy-3-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]butanedinitrile IUPAC Name: (3Z)-2-hydroxy-3-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]butanedinitrile Traditional Name: (3Z)-2-hydroxy-3-(3-nitro-4-piperidino-benzylidene)succinonitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C(C#N)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C(/C#N)\C(C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3/c17-10-13(16(21)11-18)8-12-4-5-14(15(9-12)20(22)23)19-6-2-1-3-7-19/h4-5,8-9,16,21H,1-3,6-7H2/b13-8-