4-[3-nitro-4-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-nitro-4-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[3-nitro-4-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile CAS Name: 4-[3-nitro-4-[[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]methoxy]phenyl]benzonitrile IUPAC Name: 4-[3-nitro-4-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-3-nitro-phenyl]benzonitrile Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-])CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-])CCCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c28-18-21-8-10-22(11-9-21)23-12-13-26(25(17-23)30(32)33)34-19-24-14-16-29(27(24)31)15-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-13,17,24H,4,7,14-16,19H2