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

Systemtic Name: 7-(1-methyl-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-(1-methyltetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-(1-methyl-5-tetrazolyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-(1-methyltetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-(1-methyltetrazol-5-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3/c1-17-12(14-15-16-17)8-2-3-11-10(6-8)7-9(13(18)19)4-5-20-11/h2-3,6-7H,4-5H2,1H3,(H,18,19)