methyl 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]benzoic acid methyl ester Formula: C17H12N2O4S MolecularWeight: 340.35318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4S/c1-23-17(20)12-5-2-11(3-6-12)4-9-16-18-14-10-13(19(21)22)7-8-15(14)24-16/h2-10H,1H3/b9-4+