methyl 1-(4-nitrophenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate

Systemtic Name: methyl 1-(4-nitrophenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate Openeye Name: methyl 1-(4-nitrophenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-nitrophenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate Traditional Name: 1-nosyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid methyl ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC=CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCC=CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6S/c1-22-14(17)13-5-3-2-4-10-15(13)23(20,21)12-8-6-11(7-9-12)16(18)19/h2,4,6-9,13H,3,5,10H2,1H3