2-acetyloxybenzoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide

Systemtic Name: 2-acetyloxybenzoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Openeye Name: 2-acetoxybenzoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide CAS Name: 2-acetyloxybenzoic acid; N-(4-nitro-2-phenoxyphenyl)methanesulfonamide IUPAC Name: 2-acetyloxybenzoic acid; N-(4-nitro-2-phenoxyphenyl)methanesulfonamide Traditional Name: 2-acetoxybenzoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Formula: C22H20N2O9S MolecularWeight: 488.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O5S.C9H8O4/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-9,14H,1H3;2-5H,1H3,(H,11,12)