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

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(2-methyl-3-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(2-methyl-3-nitro-benzyl)-1,2-benzothiazol-3-one Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S/c1-10-11(5-4-7-13(10)17(19)20)9-16-15(18)12-6-2-3-8-14(12)23(16,21)22/h2-8H,9H2,1H3