2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-1,2-benzothiazol-3-one Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6S/c1-10-6-7-11(8-13(10)18(21)22)14(19)9-17-16(20)12-4-2-3-5-15(12)25(17,23)24/h2-8H,9H2,1H3