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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-13(19(25)22-15-5-9-17(29-2)10-6-15)30-18(24)11-12-21-20(26)14-3-7-16(8-4-14)23(27)28/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,22,25)/t13-/m0/s1