N-[3-cyano-4-(4-methoxyphenyl)-5,6-dimethyl-pyridin-2-yl]-3-nitro-benzamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)-5,6-dimethyl-pyridin-2-yl]-3-nitro-benzamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-5,6-dimethyl-2-pyridyl]-3-nitro-benzamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-5,6-dimethyl-2-pyridinyl]-3-nitrobenzamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)-5,6-dimethylpyridin-2-yl]-3-nitrobenzamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-5,6-dimethyl-2-pyridyl]-3-nitro-benzamide Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C2=CC=C(C=C2)OC)C#N)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C2=CC=C(C=C2)OC)C#N)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H18N4O4/c1-13-14(2)24-21(25-22(27)16-5-4-6-17(11-16)26(28)29)19(12-23)20(13)15-7-9-18(30-3)10-8-15/h4-11H,1-3H3,(H,24,25,27)