[(Z)-[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ium-1-ylidene-methyl]carbamic acid

Systemtic Name: [(Z)-[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ium-1-ylidene-methyl]carbamic acid Openeye Name: [(Z)-(tert-butoxycarbonylamino)-pyrazol-1-ium-1-ylidene-methyl]carbamic acid CAS Name: [(Z)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(1-pyrazol-1-iumylidene)methyl]carbamic acid IUPAC Name: [(Z)-[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ium-1-ylidenemethyl]carbamic acid Traditional Name: [(Z)-(tert-butoxycarbonylamino)-pyrazol-1-ium-1-ylidene-methyl]carbamic acid Formula: C10H15N4O4+ MolecularWeight: 255.2505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=[N+]1C=CC=N1)NC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=[N+]\1/C=CC=N1)/NC(=O)O

InChI

InChI=1S/C10H14N4O4/c1-10(2,3)18-9(17)13-7(12-8(15)16)14-6-4-5-11-14/h4-6H,1-3H3,(H2,12,13,15,16,17)/p+1