[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H20N2O5/c1-10-7-12(3)15(8-11(10)2)18(22)13(4)26-19(23)14-5-6-16(20)17(9-14)21(24)25/h5-9,13H,20H2,1-4H3/t13-/m0/s1