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

Systemtic Name: 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-methoxy-3-(3-nitrophenyl)benzyl]-1,2-benzothiazol-3-one Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6S/c1-29-19-10-9-14(11-18(19)15-5-4-6-16(12-15)23(25)26)13-22-21(24)17-7-2-3-8-20(17)30(22,27)28/h2-12H,13H2,1H3