[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)N(C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)N(C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H21N3O6/c1-15-21(17(12-24)22(32-15)26-7-3-4-8-26)23(28)31-14-20(27)25(2)13-16-5-6-18-19(11-16)30-10-9-29-18/h3-8,11H,9-10,13-14H2,1-2H3