(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2H-chromene-3-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2H-chromene-3-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C16H18N4O3/c1-2-3-8-20-15(17-18-19-20)11-23-16(21)13-9-12-6-4-5-7-14(12)22-10-13/h4-7,9H,2-3,8,10-11H2,1H3