(E)-5-(1,3-benzothiazol-2-yl)-6-(4-chloranyl-3-nitro-phenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-chloranyl-3-nitro-phenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-chloro-3-nitro-phenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-chloro-3-nitrophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-chloro-3-nitrophenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-chloro-3-nitro-phenyl)hex-5-enoic acid Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CCCC(=O)O

InChI

InChI=1S/C19H15ClN2O4S/c20-14-9-8-12(11-16(14)22(25)26)10-13(4-3-7-18(23)24)19-21-15-5-1-2-6-17(15)27-19/h1-2,5-6,8-11H,3-4,7H2,(H,23,24)/b13-10+