3-methyl-1-nitro-2-(phenylsulfonyl)azetidine-2-carboxylic acid

Systemtic Name: 3-methyl-1-nitro-2-(phenylsulfonyl)azetidine-2-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-3-methyl-1-nitro-azetidine-2-carboxylic acid CAS Name: 2-(benzenesulfonyl)-3-methyl-1-nitro-2-azetidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-3-methyl-1-nitroazetidine-2-carboxylic acid Traditional Name: 2-besyl-3-methyl-1-nitro-azetidine-2-carboxylic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C1(C(=O)O)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CN(C1(C(=O)O)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O6S/c1-8-7-12(13(16)17)11(8,10(14)15)20(18,19)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)