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

Systemtic Name: 6-nitro-2-[(E)-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[(E)-2-[3-nitro-4-(1-piperidyl)phenyl]vinyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(E)-2-[3-nitro-4-(1-piperidinyl)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[(E)-2-(3-nitro-4-piperidino-phenyl)vinyl]-1,3-benzothiazole Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c25-23(26)15-6-7-16-19(13-15)29-20(21-16)9-5-14-4-8-17(18(12-14)24(27)28)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2/b9-5+