4-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-3-nitro-benzonitrile CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(4-benzoxy-3-methoxy-benzyl)amino]-3-nitro-benzonitrile Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-28-22-12-18(8-10-21(22)29-15-16-5-3-2-4-6-16)14-24-19-9-7-17(13-23)11-20(19)25(26)27/h2-12,24H,14-15H2,1H3