2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-keto-2-(4-nitrophenyl)ethyl]-1,2-benzothiazol-3-one Formula: C15H10N2O6S MolecularWeight: 346.3147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O6S/c18-13(10-5-7-11(8-6-10)17(20)21)9-16-15(19)12-3-1-2-4-14(12)24(16,22)23/h1-8H,9H2