[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-11(2)9-18-14(20)10-25-15(21)7-8-17-16(22)12-3-5-13(6-4-12)19(23)24/h3-6,11H,7-10H2,1-2H3,(H,17,22)(H,18,20)