methyl 3-[5-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[5-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[5-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]-2-furyl]thiophene-2-carboxylate CAS Name: 3-[5-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]furan-2-yl]thiophene-2-carboxylate Traditional Name: 3-[5-[(E)-3-keto-3-(6-nitro-1,3-benzodioxol-5-yl)prop-1-enyl]-2-furyl]thiophene-2-carboxylic acid methyl ester Formula: C20H13NO8S MolecularWeight: 427.38412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=CC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

COC(=O)C1=C(C=CS1)C2=CC=C(O2)/C=C/C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H13NO8S/c1-26-20(23)19-12(6-7-30-19)16-5-3-11(29-16)2-4-15(22)13-8-17-18(28-10-27-17)9-14(13)21(24)25/h2-9H,10H2,1H3/b4-2+