benzotriazol-1-yl 4-(benzotriazol-1-ylcarbonylamino)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: benzotriazol-1-yl 4-(benzotriazol-1-ylcarbonylamino)-1-methyl-pyrrole-2-carboxylate Openeye Name: benzotriazol-1-yl 4-(benzotriazole-1-carbonylamino)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[1-benzotriazolyl(oxo)methyl]amino]-1-methyl-2-pyrrolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-(benzotriazole-1-carbonylamino)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(benzotriazole-1-carbonylamino)-1-methyl-pyrrole-2-carboxylic acid benzotriazol-1-yl ester Formula: C19H14N8O3 MolecularWeight: 402.36626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)ON2C3=CC=CC=C3N=N2)NC(=O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)ON2C3=CC=CC=C3N=N2)NC(=O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H14N8O3/c1-25-11-12(20-19(29)26-15-8-4-2-6-13(15)21-23-26)10-17(25)18(28)30-27-16-9-5-3-7-14(16)22-24-27/h2-11H,1H3,(H,20,29)