3-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)propanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)propanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)propanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)propionic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c19-16(20)12(10-5-7-11(8-6-10)18(21)22)9-15-17-13-3-1-2-4-14(13)23-15/h1-8,12H,9H2,(H,19,20)