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

Systemtic Name: methyl 4-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3/c1-25-17(24)13-7-9-14(10-8-13)18-15(23)11-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,23)