(E)-2-cyano-3-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C18H12N4O4S MolecularWeight: 380.37728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c1-26-15-5-3-2-4-11(15)8-12(10-19)17(23)21-18-20-14-7-6-13(22(24)25)9-16(14)27-18/h2-9H,1H3,(H,20,21,23)/b12-8+