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

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S/c22-17(12-5-8-13(9-6-12)21(23)24)20-18-19-16-14-4-2-1-3-11(14)7-10-15(16)25-18/h1-6,8-9H,7,10H2,(H,19,20,22)