(E)-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-yl]amino]but-3-enoic acid

Systemtic Name: (E)-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-yl]amino]but-3-enoic acid Openeye Name: (E)-4-[[6-(tert-butoxycarbonylamino)-5-oxo-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-yl]amino]but-3-enoic acid CAS Name: (E)-4-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-yl]amino]-3-butenoic acid IUPAC Name: (E)-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-yl]amino]but-3-enoic acid Traditional Name: (E)-4-[[6-(tert-butoxycarbonylamino)-5-keto-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-3-yl]amino]but-3-enoic acid Formula: C15H22N4O5 MolecularWeight: 338.35898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN2CC=C(N2C1=O)NC=CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN2CC=C(N2C1=O)N/C=C/CC(=O)O

InChI

InChI=1S/C15H22N4O5/c1-15(2,3)24-14(23)17-10-9-18-8-6-11(19(18)13(10)22)16-7-4-5-12(20)21/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,17,23)(H,20,21)/b7-4+