[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C17H16N2O7/c1-25-14-8-7-12(19(23)24)9-13(14)18-15(20)10-26-17(22)16(21)11-5-3-2-4-6-11/h2-9,16,21H,10H2,1H3,(H,18,20)/t16-/m0/s1