N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitro-benzamide Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-26-14-7-8-15-12(10-14)4-9-16-17(15)20-19(27-16)21-18(23)11-2-5-13(6-3-11)22(24)25/h2-3,5-8,10H,4,9H2,1H3,(H,20,21,23)