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

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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