butyl 4-[2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5-oxo-4-phenyl-1-tetrazolyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-2-3-13-29-19(27)15-9-11-16(12-10-15)21-18(26)14-24-20(28)25(23-22-24)17-7-5-4-6-8-17/h4-12H,2-3,13-14H2,1H3,(H,21,26)