1-methanoyl-4-(4-methyl-2-nitro-phenyl)-5-oxidanyl-pyrrolidine-2,2-dicarboxylic acid

Systemtic Name: 1-methanoyl-4-(4-methyl-2-nitro-phenyl)-5-oxidanyl-pyrrolidine-2,2-dicarboxylic acid Openeye Name: 1-formyl-5-hydroxy-4-(4-methyl-2-nitro-phenyl)pyrrolidine-2,2-dicarboxylic acid CAS Name: 1-formyl-5-hydroxy-4-(4-methyl-2-nitrophenyl)pyrrolidine-2,2-dicarboxylic acid IUPAC Name: 1-formyl-5-hydroxy-4-(4-methyl-2-nitrophenyl)pyrrolidine-2,2-dicarboxylic acid Traditional Name: 1-formyl-5-hydroxy-4-(4-methyl-2-nitro-phenyl)pyrrolidine-2,2-dicarboxylic acid Formula: C14H14N2O8 MolecularWeight: 338.26956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CC(N(C2O)C=O)(C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2CC(N(C2O)C=O)(C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O8/c1-7-2-3-8(10(4-7)16(23)24)9-5-14(12(19)20,13(21)22)15(6-17)11(9)18/h2-4,6,9,11,18H,5H2,1H3,(H,19,20)(H,21,22)