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

Systemtic Name: 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-3-nitro-benzonitrile Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4/c1-25(20-10-8-18(14-24)12-21(20)26(27)28)15-19-9-11-22(23(13-19)29-2)30-16-17-6-4-3-5-7-17/h3-13H,15-16H2,1-2H3