3-[3-oxidanylidene-3-(2H-1,2,3,4-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[3-oxidanylidene-3-(2H-1,2,3,4-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[3-oxo-3-(2H-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid CAS Name: 3-[1,3-dioxo-3-(2H-tetrazol-5-yl)propyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[3-oxo-3-(2H-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[3-keto-3-(2H-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid Formula: C13H9N5O4 MolecularWeight: 299.24166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=CN2)C(=O)CC(=O)C3=NNN=N3

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=CN2)C(=O)CC(=O)C3=NNN=N3

InChI

InChI=1S/C13H9N5O4/c19-10(4-11(20)12-15-17-18-16-12)8-5-14-9-2-1-6(13(21)22)3-7(8)9/h1-3,5,14H,4H2,(H,21,22)(H,15,16,17,18)