N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-3-methyl-2-nitro-benzamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-3-methyl-2-nitro-benzamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-14-7-8-15(2)19(11-14)29-20-10-9-17(12-23-20)13-24-22(26)18-6-4-5-16(3)21(18)25(27)28/h4-12H,13H2,1-3H3,(H,24,26)