4-[2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl]benzonitrile CAS Name: 4-[2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl]benzonitrile IUPAC Name: 4-[2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl]benzonitrile Traditional Name: 4-[4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl]benzonitrile Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H23N3O3/c1-18-25(22-14-12-20(16-28)13-15-22)26(27(30(31)32)19(2)29-18)23-10-6-7-11-24(23)33-17-21-8-4-3-5-9-21/h3-15,26,29H,17H2,1-2H3