4-[[(2-methoxy-4-oxidanyl-phenyl)-[(4-nitrophenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2-methoxy-4-oxidanyl-phenyl)-[(4-nitrophenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[4-hydroxy-2-methoxy-N-[(4-nitrophenyl)methyl]anilino]methyl]benzonitrile CAS Name: 4-[[4-hydroxy-2-methoxy-N-[(4-nitrophenyl)methyl]anilino]methyl]benzonitrile IUPAC Name: 4-[[4-hydroxy-2-methoxy-N-[(4-nitrophenyl)methyl]anilino]methyl]benzonitrile Traditional Name: 4-[(4-hydroxy-2-methoxy-N-(4-nitrobenzyl)anilino)methyl]benzonitrile Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)N(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)O)N(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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