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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O4S/c19-13-7-5-11(10-15(13)21(24)25)9-12(6-8-17(22)23)18-20-14-3-1-2-4-16(14)26-18/h1-5,7,9-10H,6,8H2,(H,22,23)/b12-9+