[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-4-6-11(3)16-13(18)9-22-15(19)14-10(2)7-5-8-12(14)17(20)21/h5,7-8,11H,4,6,9H2,1-3H3,(H,16,18)/t11-/m0/s1