[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)benzoic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC(=CC=C2)COC

InChI

InChI=1S/C19H20N2O7/c1-12(28-19(23)14-6-4-5-13(9-14)11-26-2)18(22)20-16-10-15(21(24)25)7-8-17(16)27-3/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1