ethyl 4-cyano-5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H15N3O7S MolecularWeight: 453.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)C#N)C

InChI

InChI=1S/C21H15N3O7S/c1-3-29-21(26)20-11(2)14(9-23)19(32-20)7-16(25)13(8-22)4-12-5-17-18(31-10-30-17)6-15(12)24(27)28/h4-6H,3,7,10H2,1-2H3