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4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate

4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate

Systemtic Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate
Openeye Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]benzoate
CAS Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate
IUPAC Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate
Traditional Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]benzoate
Formula: C16H9N2O4S-
MolecularWeight: 325.31866
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]


InChI

InChI=1S/C16H10N2O4S/c19-16(20)11-4-1-10(2-5-11)3-8-15-17-13-7-6-12(18(21)22)9-14(13)23-15/h1-9H,(H,19,20)/p-1/b8-3+


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