[2-(dimethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-18(2)16-17-13-7-6-12(9-14(13)24-16)23-15(20)10-4-3-5-11(8-10)19(21)22/h3-9H,1-2H3