(E)-2-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)acrylonitrile Formula: C18H13N3O4S MolecularWeight: 367.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O4S/c1-24-15-8-11(14(21(22)23)9-16(15)25-2)7-12(10-19)18-20-13-5-3-4-6-17(13)26-18/h3-9H,1-2H3/b12-7+