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

Systemtic Name: (2S)-1-(5-methoxy-2-nitro-4-oxidanyl-phenyl)carbonylpyrrolidine-2-carbaldehyde Openeye Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitro-benzoyl)pyrrolidine-2-carbaldehyde CAS Name: (2S)-1-[(4-hydroxy-5-methoxy-2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxaldehyde IUPAC Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carbaldehyde Traditional Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitro-benzoyl)pyrrolidine-2-carbaldehyde Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-21-12-5-9(10(15(19)20)6-11(12)17)13(18)14-4-2-3-8(14)7-16/h5-8,17H,2-4H2,1H3/t8-/m0/s1