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

Systemtic Name: 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]benzoic acid Formula: C16H10N2O4S MolecularWeight: 326.3266

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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)/b8-3+