3-(2,4-dimethylphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(2,4-dimethylphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(2,4-dimethylphenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(2,4-dimethylphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(2,4-dimethylphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(2,4-dimethylphenyl)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-12-3-4-14(13(2)9-12)5-8-18(22)19-11-15-10-16(20(23)24)6-7-17(15)21/h3-4,6-7,9-10,21H,5,8,11H2,1-2H3,(H,19,22)