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

Systemtic Name: 4-chloranyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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