methyl 7-(1-methyl-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-(1-methyl-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-(1-methyltetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(1-methyl-5-tetrazolyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(1-methyltetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(1-methyltetrazol-5-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)OC

InChI

InChI=1S/C14H14N4O3/c1-18-13(15-16-17-18)9-3-4-12-11(7-9)8-10(5-6-21-12)14(19)20-2/h3-4,7-8H,5-6H2,1-2H3