N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-methyl-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-methyl-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-methyl-benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-methylbenzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-methylbenzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-methyl-benzamide Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

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