N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-3-nitro-benzamide Formula: C20H12ClN3O3S MolecularWeight: 409.84558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN3O3S/c21-14-10-9-12(11-17(14)24(26)27)19(25)22-15-6-2-1-5-13(15)20-23-16-7-3-4-8-18(16)28-20/h1-11H,(H,22,25)