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

Systemtic Name: (2S)-1-(2-azido-5-methoxy-4-oxidanyl-phenyl)carbonylpyrrolidine-2-carbaldehyde Openeye Name: (2S)-1-(2-azido-4-hydroxy-5-methoxy-benzoyl)pyrrolidine-2-carbaldehyde CAS Name: (2S)-1-[(2-azido-4-hydroxy-5-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxaldehyde IUPAC Name: (2S)-1-(2-azido-4-hydroxy-5-methoxybenzoyl)pyrrolidine-2-carbaldehyde Traditional Name: (2S)-1-(2-azido-4-hydroxy-5-methoxy-benzoyl)pyrrolidine-2-carbaldehyde Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-21-12-5-9(10(15-16-14)6-11(12)19)13(20)17-4-2-3-8(17)7-18/h5-8,19H,2-4H2,1H3/t8-/m0/s1