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

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 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-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 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-benzoxazol-2-ylmethyl ester Formula: C19H13N3O4 MolecularWeight: 347.32422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H13N3O4/c1-12-17(13(10-20)18(25-12)22-8-4-5-9-22)19(23)24-11-16-21-14-6-2-3-7-15(14)26-16/h2-9H,11H2,1H3