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

Systemtic Name: [1-azanyl-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]imino-propan-2-yl] 2-phenylethanoate Openeye Name: [2-amino-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]imino-ethyl] 2-phenylacetate CAS Name: 2-phenylacetic 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] 2-phenylacetate Traditional Name: 2-phenylacetic acid [2-amino-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]imino-ethyl] ester Formula: C19H18F3N3O4 MolecularWeight: 409.35913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)N)OC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)N)OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H18F3N3O4/c1-18(2,29-16(26)10-12-6-4-3-5-7-12)17(23)24-13-8-9-15(25(27)28)14(11-13)19(20,21)22/h3-9,11H,10H2,1-2H3,(H2,23,24)