benzotriazol-1-yl 4-acetamido-1-methyl-pyrrole-2-carboxylate

Systemtic Name: benzotriazol-1-yl 4-acetamido-1-methyl-pyrrole-2-carboxylate Openeye Name: benzotriazol-1-yl 4-acetamido-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetamido-1-methyl-2-pyrrolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-acetamido-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetamido-1-methyl-pyrrole-2-carboxylic acid benzotriazol-1-yl ester Formula: C14H13N5O3 MolecularWeight: 299.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=C1)C(=O)ON2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC(=O)NC1=CN(C(=C1)C(=O)ON2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C14H13N5O3/c1-9(20)15-10-7-13(18(2)8-10)14(21)22-19-12-6-4-3-5-11(12)16-17-19/h3-8H,1-2H3,(H,15,20)