5-nitro-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile IUPAC Name: 5-nitro-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-27-17-11-19(28-2)21(20(12-17)29-3)14-6-8-23(9-7-14)18-5-4-16(24(25)26)10-15(18)13-22/h4-6,10-12H,7-9H2,1-3H3