(E)-4-oxidanylidene-2-phenyl-3-(2-phenyl-1,2,3,4-tetrazol-5-yl)pent-2-enenitrile oxide

Systemtic Name: (E)-4-oxidanylidene-2-phenyl-3-(2-phenyl-1,2,3,4-tetrazol-5-yl)pent-2-enenitrile oxide Openeye Name: (E)-4-oxo-2-phenyl-3-(2-phenyltetrazol-5-yl)pent-2-enenitrile oxide CAS Name: (E)-4-oxo-2-phenyl-3-(2-phenyl-5-tetrazolyl)-2-pentenenitrile oxide IUPAC Name: (E)-4-oxo-2-phenyl-3-(2-phenyltetrazol-5-yl)pent-2-enenitrile oxide Traditional Name: (E)-4-keto-2-phenyl-3-(2-phenyltetrazol-5-yl)pent-2-enenitrile oxide Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C#[N+][O-])C1=CC=CC=C1)C2=NN(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C(/C#[N+][O-])\C1=CC=CC=C1)/C2=NN(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H13N5O2/c1-13(24)17(16(12-19-25)14-8-4-2-5-9-14)18-20-22-23(21-18)15-10-6-3-7-11-15/h2-11H,1H3/b17-16+