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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

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