[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1R)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-3-15-4-8-17(9-5-15)23-20(26)14(2)30-19(25)12-13-22-21(27)16-6-10-18(11-7-16)24(28)29/h4-11,14H,3,12-13H2,1-2H3,(H,22,27)(H,23,26)/t14-/m1/s1