[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-3-5-11(2)18-14(20)10-25-15(21)9-17-16(22)12-6-4-7-13(8-12)19(23)24/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,17,22)(H,18,20)/t11-/m1/s1