methyl (E)-2-(2-methyl-1,2,3,4-tetrazol-5-yl)-3-oxycyano-3-phenyl-prop-2-enoate

Systemtic Name: methyl (E)-2-(2-methyl-1,2,3,4-tetrazol-5-yl)-3-oxycyano-3-phenyl-prop-2-enoate Openeye Name: methyl (E)-2-(2-methyltetrazol-5-yl)-3-oxycyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-(2-methyl-5-tetrazolyl)-3-oxidocyano-3-phenyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(2-methyltetrazol-5-yl)-3-oxycyano-3-phenylprop-2-enoate Traditional Name: (E)-2-(2-methyltetrazol-5-yl)-3-oxycyano-3-phenyl-acrylic acid methyl ester Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C(=C(C#[N+][O-])C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1N=C(N=N1)/C(=C(\C#[N+][O-])/C2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C13H11N5O3/c1-18-16-12(15-17-18)11(13(19)21-2)10(8-14-20)9-6-4-3-5-7-9/h3-7H,1-2H3/b11-10-