[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-12(21-19(25)14-7-5-4-6-8-14)20(26)30-13(2)18(24)22-16-10-9-15(29-3)11-17(16)23(27)28/h4-13H,1-3H3,(H,21,25)(H,22,24)/t12-,13+/m0/s1