4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate

Systemtic Name: 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate Openeye Name: 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate IUPAC Name: 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(5-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=CC(=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

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