(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H15ClN4O3/c19-14-6-7-16-12(9-14)8-13(10-25-16)18(24)26-11-17-20-21-22-23(17)15-4-2-1-3-5-15/h1-7,9,13H,8,10-11H2