methyl 7-methyl-1-(4-nitrophenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylate

Systemtic Name: methyl 7-methyl-1-(4-nitrophenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylate Openeye Name: methyl 7-methyl-1-(4-nitrophenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylate CAS Name: 7-methyl-1-(4-nitrophenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-1-(4-nitrophenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylate Traditional Name: 7-methyl-1-nosyl-5,6-dihydro-2H-azepine-7-carboxylic acid methyl ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1(CCC=CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H18N2O6S/c1-15(14(18)23-2)10-4-3-5-11-16(15)24(21,22)13-8-6-12(7-9-13)17(19)20/h3,5-9H,4,10-11H2,1-2H3