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

Systemtic Name: [(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [(1S)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O8/c1-10(28-18(23)13-6-4-12(27-3)9-16(13)21)17(22)19-14-7-5-11(26-2)8-15(14)20(24)25/h4-10,21H,1-3H3,(H,19,22)/t10-/m0/s1