[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-nitrobenzoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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