2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: 2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: 2-[[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylate IUPAC Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Formula: C17H17N2O6- MolecularWeight: 345.32668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1C(C2C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C1C2C=CC1C(C2C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C17H18N2O6/c20-13(9-3-5-12(6-4-9)19(24)25)8-18-16(21)14-10-1-2-11(7-10)15(14)17(22)23/h1-6,10-11,13-15,20H,7-8H2,(H,18,21)(H,22,23)/p-1