1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-benzyloxy-5-methoxy-2-nitro-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-benzoxy-5-methoxy-2-nitro-benzoyl)-4-hydroxy-proline Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC(CC2C(=O)O)O)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC(CC2C(=O)O)O)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O8/c1-29-17-8-14(19(24)21-10-13(23)7-16(21)20(25)26)15(22(27)28)9-18(17)30-11-12-5-3-2-4-6-12/h2-6,8-9,13,16,23H,7,10-11H2,1H3,(H,25,26)