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

Systemtic Name: 2-[(3-nitrophenyl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(3-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(3-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(3-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(3-nitrobenzyl)-1,2-benzothiazol-3-one Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S/c17-14-12-6-1-2-7-13(12)22(20,21)15(14)9-10-4-3-5-11(8-10)16(18)19/h1-8H,9H2