[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C15H20N2O7 MolecularWeight: 340.3285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7/c1-5-6-16-14(18)9(2)24-15(19)10-7-12(22-3)13(23-4)8-11(10)17(20)21/h7-9H,5-6H2,1-4H3,(H,16,18)/t9-/m0/s1