[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-3-12(4-2)18-14(20)10-25-15(21)9-17-16(22)11-6-5-7-13(8-11)19(23)24/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,22)(H,18,20)