2-chloranyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-benzamide Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12ClN3O3S/c19-14-7-6-11(22(24)25)9-13(14)17(23)21-18-20-16-12-4-2-1-3-10(12)5-8-15(16)26-18/h1-4,6-7,9H,5,8H2,(H,20,21,23)