2-[[1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]amino]benzenecarbonitrile

Systemtic Name: 2-[[1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]amino]benzenecarbonitrile Openeye Name: 2-[[1-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-hydroxy-ethyl]amino]benzonitrile CAS Name: 2-[[2-hydroxy-1-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethyl]amino]benzonitrile IUPAC Name: 2-[[2-hydroxy-1-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethyl]amino]benzonitrile Traditional Name: 2-[[1-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-hydroxy-ethyl]amino]benzonitrile Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CO)NC2=CC=CC=C2C#N)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CO)NC2=CC=CC=C2C#N)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5/c1-30-22-11-18(20(14-27)25-19-10-6-5-9-17(19)13-24)21(26(28)29)12-23(22)31-15-16-7-3-2-4-8-16/h2-12,20,25,27H,14-15H2,1H3