(E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-5-nitro-4-oxido-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-5-nitro-4-oxidophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-5-nitro-4-oxidophenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-5-nitro-4-oxido-phenyl)but-3-enoate Formula: C18H12N2O6S-2 MolecularWeight: 384.36268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2O6S/c1-26-14-8-10(7-13(17(14)23)20(24)25)6-11(9-16(21)22)18-19-12-4-2-3-5-15(12)27-18/h2-8,23H,9H2,1H3,(H,21,22)/p-2/b11-6+