[1-azanyl-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]imino-propan-2-yl] ethanoate

Systemtic Name: [1-azanyl-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]imino-propan-2-yl] ethanoate Openeye Name: [2-amino-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]imino-ethyl] acetate CAS Name: acetic acid [1-amino-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]iminopropan-2-yl] ester IUPAC Name: [1-amino-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]iminopropan-2-yl] acetate Traditional Name: acetic acid [2-amino-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]imino-ethyl] ester Formula: C13H14F3N3O4 MolecularWeight: 333.26317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O4/c1-7(20)23-12(2,3)11(17)18-8-4-5-10(19(21)22)9(6-8)13(14,15)16/h4-6H,1-3H3,(H2,17,18)