[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-8-15-13(17)10(3)21-14(18)12-9(2)6-5-7-11(12)16(19)20/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m0/s1