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

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C#N

InChI

InChI=1S/C15H13N3O4S/c1-9-8-23-15(17-9)11(7-16)4-10-5-13(21-2)14(22-3)6-12(10)18(19)20/h4-6,8H,1-3H3/b11-4+