(1-butyl-1,2,3,4-tetrazol-5-yl)methyl anthracene-9-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl anthracene-9-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C21H20N4O2/c1-2-3-12-25-19(22-23-24-25)14-27-21(26)20-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)20/h4-11,13H,2-3,12,14H2,1H3