methyl 2-[(2-nitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate

Systemtic Name: methyl 2-[(2-nitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate Openeye Name: methyl 2-[(2-nitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate CAS Name: 2-[(2-nitrophenyl)sulfinylmethyl]-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-nitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate Traditional Name: 2-[(2-nitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid methyl ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2CC1C=C2)CS(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2CC1C=C2)CS(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-22-16(18)15-11-7-6-10(8-11)12(15)9-23(21)14-5-3-2-4-13(14)17(19)20/h2-7,10-11H,8-9H2,1H3