cyanomethyl (E)-3-(furan-2-yl)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-(furan-2-yl)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)prop-2-enoate Openeye Name: cyanomethyl (E)-3-(2-furyl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate CAS Name: (E)-3-(2-furanyl)-2-(5-phenyl-1-tetrazolyl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate Traditional Name: (E)-3-(2-furyl)-2-(5-phenyltetrazol-1-yl)acrylic acid cyanomethyl ester Formula: C16H11N5O3 MolecularWeight: 321.29024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=NN2C(=CC3=CC=CO3)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=NN2/C(=C/C3=CC=CO3)/C(=O)OCC#N

InChI

InChI=1S/C16H11N5O3/c17-8-10-24-16(22)14(11-13-7-4-9-23-13)21-15(18-19-20-21)12-5-2-1-3-6-12/h1-7,9,11H,10H2/b14-11+