2-[[(4-nitrophenyl)amino]methyl]-1,2-thiazol-3-one

Systemtic Name: 2-[[(4-nitrophenyl)amino]methyl]-1,2-thiazol-3-one Openeye Name: 2-[(4-nitroanilino)methyl]isothiazol-3-one CAS Name: 2-[(4-nitroanilino)methyl]-3-isothiazolone IUPAC Name: 2-[(4-nitroanilino)methyl]-1,2-thiazol-3-one Traditional Name: 2-[(4-nitroanilino)methyl]-4-isothiazolin-3-one Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCN2C(=O)C=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCN2C(=O)C=CS2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O3S/c14-10-5-6-17-12(10)7-11-8-1-3-9(4-2-8)13(15)16/h1-6,11H,7H2