[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-8(2)15-13(17)9(3)22-14(18)11-7-10(16(19)20)5-6-12(11)21-4/h5-9H,1-4H3,(H,15,17)/t9-/m0/s1