ethyl 4-[3-azanyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzoate

Systemtic Name: ethyl 4-[3-azanyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzoate Openeye Name: ethyl 4-[3-amino-4-(2H-tetrazol-5-yl)phenyl]benzoate CAS Name: 4-[3-amino-4-(2H-tetrazol-5-yl)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-4-(2H-tetrazol-5-yl)phenyl]benzoate Traditional Name: 4-[3-amino-4-(2H-tetrazol-5-yl)phenyl]benzoic acid ethyl ester Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=NNN=N3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=NNN=N3)N

InChI

InChI=1S/C16H15N5O2/c1-2-23-16(22)11-5-3-10(4-6-11)12-7-8-13(14(17)9-12)15-18-20-21-19-15/h3-9H,2,17H2,1H3,(H,18,19,20,21)