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

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c1-10-4-5-11(2)16(8-10)20-17(22)12(3)26-18(23)14-7-6-13(21(24)25)9-15(14)19/h4-9,12H,19H2,1-3H3,(H,20,22)/t12-/m0/s1