methyl 4-[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H19FN2O6 MolecularWeight: 390.362363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC(=CC=C1)F)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O6/c1-12(18(23)21(2)11-13-5-4-6-15(20)9-13)28-17-8-7-14(19(24)27-3)10-16(17)22(25)26/h4-10,12H,11H2,1-3H3/t12-/m1/s1