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

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chloranyl-3-nitro-phenyl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chloro-3-nitro-phenyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chloro-3-nitrophenyl)-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chloro-3-nitrophenyl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

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

InChI

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