N-[(5-nitro-2-oxidanyl-phenyl)methyl]-5-oxidanylidene-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-5-oxidanylidene-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-5-keto-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H23N3O8/c1-30-17-8-15(9-18(31-2)20(17)32-3)23-11-13(7-19(23)26)21(27)22-10-12-6-14(24(28)29)4-5-16(12)25/h4-6,8-9,13,25H,7,10-11H2,1-3H3,(H,22,27)