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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloranyl-5-nitro-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitro-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitrophenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitrophenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitro-phenyl)pent-4-enoic acid Formula: C18H13ClN2O4S MolecularWeight: 388.82482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O4S/c19-14-7-6-13(21(24)25)10-12(14)9-11(5-8-17(22)23)18-20-15-3-1-2-4-16(15)26-18/h1-4,6-7,9-10H,5,8H2,(H,22,23)/b11-9+