3-(2,5-dimethylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(2,5-dimethylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(2,5-dimethylphenoxy)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(2,5-dimethylphenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(2,5-dimethylphenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(2,5-dimethylphenoxy)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H20N2O5/c1-12-3-4-13(2)17(9-12)25-8-7-18(22)19-11-14-10-15(20(23)24)5-6-16(14)21/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,19,22)