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

Systemtic Name: diethyl 5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H20N2O9S MolecularWeight: 500.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

InChI

InChI=1S/C23H20N2O9S/c1-4-31-22(27)20-12(3)21(23(28)32-5-2)35-19(20)9-16(26)14(10-24)6-13-7-17-18(34-11-33-17)8-15(13)25(29)30/h6-8H,4-5,9,11H2,1-3H3