3-methylaniline; 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide

Systemtic Name: 3-methylaniline; 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; 3-methylaniline CAS Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; 3-methylaniline IUPAC Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; 3-methylaniline Traditional Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; m-toluidine Formula: C18H20F3N3O4 MolecularWeight: 399.36431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N.CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC1=CC(=CC=C1)N.CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C11H11F3N2O4.C7H9N/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14;1-6-3-2-4-7(8)5-6/h3-5,18H,1-2H3,(H,15,17);2-5H,8H2,1H3