1,3-benzodioxol-5-yl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H12N2O5/c1-11-16(13(9-19)17(24-11)20-6-2-3-7-20)18(21)25-12-4-5-14-15(8-12)23-10-22-14/h2-8H,10H2,1H3