1-[(3-nitrophenyl)methyl]-5-oxidanylidene-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile

Systemtic Name: 1-[(3-nitrophenyl)methyl]-5-oxidanylidene-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile Openeye Name: 2-(2-benzyloxyphenyl)-1-[(3-nitrophenyl)methyl]-5-oxo-pyrrolidine-2-carbonitrile CAS Name: 1-[(3-nitrophenyl)methyl]-5-oxo-2-(2-phenylmethoxyphenyl)-2-pyrrolidinecarbonitrile IUPAC Name: 1-[(3-nitrophenyl)methyl]-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile Traditional Name: 2-(2-benzoxyphenyl)-5-keto-1-(3-nitrobenzyl)pyrrolidine-2-carbonitrile Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1=O)CC2=CC(=CC=C2)[N+](=O)[O-])(C#N)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1=O)CC2=CC(=CC=C2)[N+](=O)[O-])(C#N)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c26-18-25(22-11-4-5-12-23(22)32-17-19-7-2-1-3-8-19)14-13-24(29)27(25)16-20-9-6-10-21(15-20)28(30)31/h1-12,15H,13-14,16-17H2