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

Systemtic Name: methyl 4-methyl-3-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3/c1-12-8-9-14(18(25)26-2)10-15(12)19-16(24)11-23-21-17(20-22-23)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,24)