N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O3S/c1-9-6-7-13-14(10(9)2)17-16(23-13)18-15(20)11-4-3-5-12(8-11)19(21)22/h3-8H,1-2H3,(H,17,18,20)