ethyl 2,5-dimethyl-4-[2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(5-oxo-4-phenyl-1-tetrazolyl)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(5-keto-4-phenyl-tetrazol-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2C(=O)N(N=N2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2C(=O)N(N=N2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H19N5O4/c1-4-27-17(25)16-12(3)19-11(2)15(16)14(24)10-22-18(26)23(21-20-22)13-8-6-5-7-9-13/h5-9,19H,4,10H2,1-3H3