dimethyl 2-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O5/c1-28-18(26)13-8-9-14(19(27)29-2)15(10-13)20-16(25)11-24-22-17(21-23-24)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,25)