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

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-2-nitro-benzamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-2-nitro-benzamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-nitrobenzamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-2-nitrobenzamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-2-nitro-benzamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-14-7-8-15(2)19(11-14)28-20-10-9-16(12-22-20)13-23-21(25)17-5-3-4-6-18(17)24(26)27/h3-12H,13H2,1-2H3,(H,23,25)