2-(4-methoxy-2-nitro-phenyl)-5-(phenylcarbonyl)-1,2-thiazol-3-one

Systemtic Name: 2-(4-methoxy-2-nitro-phenyl)-5-(phenylcarbonyl)-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-(4-methoxy-2-nitro-phenyl)isothiazol-3-one CAS Name: 5-benzoyl-2-(4-methoxy-2-nitrophenyl)-3-isothiazolone IUPAC Name: 5-benzoyl-2-(4-methoxy-2-nitrophenyl)-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-(4-methoxy-2-nitro-phenyl)-4-isothiazolin-3-one Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C=C(S2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C=C(S2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c1-24-12-7-8-13(14(9-12)19(22)23)18-16(20)10-15(25-18)17(21)11-5-3-2-4-6-11/h2-10H,1H3