[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C18H15F3N2O5/c1-9(16(24)23-11-3-5-14-15(7-11)27-8-26-14)28-17(25)12-4-2-10(6-13(12)22)18(19,20)21/h2-7,9H,8,22H2,1H3,(H,23,24)/t9-/m1/s1