[(2-methylpropan-2-yl)oxycarbonylamino] 1-(benzotriazol-1-yl)-3-methyl-pyrrole-2-carboxylate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] 1-(benzotriazol-1-yl)-3-methyl-pyrrole-2-carboxylate Openeye Name: (tert-butoxycarbonylamino) 1-(benzotriazol-1-yl)-3-methyl-pyrrole-2-carboxylate CAS Name: 1-(1-benzotriazolyl)-3-methyl-2-pyrrolecarboxylic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] 1-(benzotriazol-1-yl)-3-methylpyrrole-2-carboxylate Traditional Name: 1-(benzotriazol-1-yl)-3-methyl-pyrrole-2-carboxylic acid (tert-butoxycarbonylamino) ester Formula: C17H19N5O4 MolecularWeight: 357.36386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1)N2C3=CC=CC=C3N=N2)C(=O)ONC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N(C=C1)N2C3=CC=CC=C3N=N2)C(=O)ONC(=O)OC(C)(C)C

InChI

InChI=1S/C17H19N5O4/c1-11-9-10-21(22-13-8-6-5-7-12(13)18-20-22)14(11)15(23)26-19-16(24)25-17(2,3)4/h5-10H,1-4H3,(H,19,24)