dimethyl (E)-2-(1-methyl-6-phenyl-pyrrolo[2,1-e][1,2,3,4]tetrazol-5-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(1-methyl-6-phenyl-pyrrolo[2,1-e][1,2,3,4]tetrazol-5-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(1-methyl-6-phenyl-pyrrolo[2,1-e]tetrazol-5-yl)but-2-enedioate CAS Name: (E)-2-(1-methyl-6-phenyl-5-pyrrolo[2,1-e]tetrazolyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(1-methyl-6-phenylpyrrolo[2,1-e]tetrazol-5-yl)but-2-enedioate Traditional Name: (E)-2-(1-methyl-6-phenyl-pyrrolo[2,1-e]tetrazol-5-yl)but-2-enedioic acid dimethyl ester Formula: C17H16N4O4 MolecularWeight: 340.33334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(N2N=N1)C(=CC(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C2=CC(=C(N2N=N1)/C(=C\C(=O)OC)/C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4/c1-20-14-9-12(11-7-5-4-6-8-11)16(21(14)19-18-20)13(17(23)25-3)10-15(22)24-2/h4-10H,1-3H3/b13-10+