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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloranyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitro-benzoyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitrobenzoyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitro-benzoyl)benzamide Formula: C21H12ClN3O4S MolecularWeight: 437.85568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H12ClN3O4S/c22-15-10-9-12(11-17(15)25(28)29)19(26)13-5-1-2-6-14(13)20(27)24-21-23-16-7-3-4-8-18(16)30-21/h1-11H,(H,23,24,27)