methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-2-methyl-furan-3-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-cyano-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-2-methylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-(piperonyloylamino)furan-3-carboxylic acid methyl ester Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)NC(=O)C2=CC3=C(C=C2)OCO3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)NC(=O)C2=CC3=C(C=C2)OCO3)C#N)C(=O)OC

InChI

InChI=1S/C16H12N2O6/c1-8-13(16(20)21-2)10(6-17)15(24-8)18-14(19)9-3-4-11-12(5-9)23-7-22-11/h3-5H,7H2,1-2H3,(H,18,19)