(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 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-propyltetrazol-5-yl)methyl ester Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C16H16N6O3/c1-3-6-22-13(18-19-20-22)10-24-16(23)14-11(2)25-15(12(14)9-17)21-7-4-5-8-21/h4-5,7-8H,3,6,10H2,1-2H3