2-(2-dimethylaminoethyl)-5-nitro-1,2-benzothiazol-3-one

Systemtic Name: 2-(2-dimethylaminoethyl)-5-nitro-1,2-benzothiazol-3-one Openeye Name: 2-(2-dimethylaminoethyl)-5-nitro-1,2-benzothiazol-3-one CAS Name: 2-(2-dimethylaminoethyl)-5-nitro-1,2-benzothiazol-3-one IUPAC Name: 2-(2-dimethylaminoethyl)-5-nitro-1,2-benzothiazol-3-one Traditional Name: 2-(2-dimethylaminoethyl)-5-nitro-1,2-benzothiazol-3-one Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3S/c1-12(2)5-6-13-11(15)9-7-8(14(16)17)3-4-10(9)18-13/h3-4,7H,5-6H2,1-2H3