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

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloranyl-5-nitro-phenyl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitro-phenyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitro-phenyl)but-3-enoic acid Formula: C17H11ClN2O4S MolecularWeight: 374.79824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O4S/c18-13-6-5-12(20(23)24)8-10(13)7-11(9-16(21)22)17-19-14-3-1-2-4-15(14)25-17/h1-8H,9H2,(H,21,22)/b11-7-