methyl (2S)-1-(5-methoxy-2-nitro-4-oxidanyl-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(5-methoxy-2-nitro-4-oxidanyl-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(4-hydroxy-5-methoxy-2-nitro-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(4-hydroxy-5-methoxy-2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(4-hydroxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitro-benzoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C14H16N2O7/c1-22-12-6-8(10(16(20)21)7-11(12)17)13(18)15-5-3-4-9(15)14(19)23-2/h6-7,9,17H,3-5H2,1-2H3/t9-/m0/s1