2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-6-nitro-1,3-benzothiazole Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4S/c20-19(21)12-3-4-13-16(10-12)24-17(18-13)6-2-11-1-5-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2/b6-2+