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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)[N+](=O)[O-]

InChI

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