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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-2-10-6-5-9-13-14(10)17-16(23-13)18-15(20)11-7-3-4-8-12(11)19(21)22/h3-9H,2H2,1H3,(H,17,18,20)