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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-9(2)14-12(16)8-20-13(17)10-4-6-11(7-5-10)15(18)19/h4-7,9H,3,8H2,1-2H3,(H,14,16)/t9-/m0/s1