(E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitrophenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitrophenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitrophenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitrophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitrophenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitrophenyl)but-3-enoic acid Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O4S/c20-16(21)10-12(8-11-4-3-5-13(9-11)19(22)23)17-18-14-6-1-2-7-15(14)24-17/h1-9H,10H2,(H,20,21)/b12-8+