3-methyl-N-[2-(3-nitro-4-oxidanyl-phenyl)ethyl]butanamide

Systemtic Name: 3-methyl-N-[2-(3-nitro-4-oxidanyl-phenyl)ethyl]butanamide Openeye Name: N-[2-(4-hydroxy-3-nitro-phenyl)ethyl]-3-methyl-butanamide CAS Name: N-[2-(4-hydroxy-3-nitrophenyl)ethyl]-3-methylbutanamide IUPAC Name: N-[2-(4-hydroxy-3-nitrophenyl)ethyl]-3-methylbutanamide Traditional Name: N-[2-(4-hydroxy-3-nitro-phenyl)ethyl]-3-methyl-butyramide Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC1=CC(=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NCCC1=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-9(2)7-13(17)14-6-5-10-3-4-12(16)11(8-10)15(18)19/h3-4,8-9,16H,5-7H2,1-2H3,(H,14,17)