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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c20-16(11-5-1-3-7-13(11)19(21)22)17-10-9-15-18-12-6-2-4-8-14(12)23-15/h1-8H,9-10H2,(H,17,20)