[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-hydroxy-benzoate CAS Name: 5-chloro-2-hydroxybenzoic acid [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-hydroxybenzoate Traditional Name: 5-chloro-2-hydroxy-benzoic acid [(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O7/c1-9(27-17(23)12-7-10(18)3-6-14(12)21)16(22)19-13-5-4-11(20(24)25)8-15(13)26-2/h3-9,21H,1-2H3,(H,19,22)/t9-/m1/s1