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

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O5S/c23-17(13-7-6-11(21(24)25)9-14(13)22(26)27)20-18-19-16-12-4-2-1-3-10(12)5-8-15(16)28-18/h1-4,6-7,9H,5,8H2,(H,19,20,23)