[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-3-4-12(2)19-15(21)11-26-16(22)9-10-18-17(23)13-5-7-14(8-6-13)20(24)25/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,23)(H,19,21)/t12-/m0/s1