2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-5-nitro-1,3-benzothiazole Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=CC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C/C3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c1-22-13-6-10(7-14-17(13)24-9-23-14)2-5-16-18-12-8-11(19(20)21)3-4-15(12)25-16/h2-8H,9H2,1H3/b5-2+