[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O7/c1-11-16(26-3)8-13(9-17(11)27-4)19(23)28-12(2)18(22)20-14-6-5-7-15(10-14)21(24)25/h5-10,12H,1-4H3,(H,20,22)/t12-/m0/s1