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

Systemtic Name: 5-chloranyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O3S/c19-11-6-7-14(22(24)25)13(9-11)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)