dimethyl 2-azido-5-[(5E)-5-pyrrol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl]hexanedioate

Systemtic Name: dimethyl 2-azido-5-[(5E)-5-pyrrol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-azido-5-[(5E)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]hexanedioate CAS Name: 2-azido-5-[(5E)-5-(2-pyrrolylidene)-1H-tetrazol-2-yl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-azido-5-[(5E)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]hexanedioate Traditional Name: 2-azido-5-[(5E)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]adipic acid dimethyl ester Formula: C13H16N8O4 MolecularWeight: 348.31734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)N1NC(=C2C=CC=N2)N=N1)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)N1N/C(=C\2/C=CC=N2)/N=N1)N=[N+]=[N-]

InChI

InChI=1S/C13H16N8O4/c1-24-12(22)9(16-19-14)5-6-10(13(23)25-2)21-18-11(17-20-21)8-4-3-7-15-8/h3-4,7,9-10,18H,5-6H2,1-2H3/b11-8-