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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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