[4-[ethyl(phenyl)carbamoyl]-1H-pyrazol-5-yl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [4-[ethyl(phenyl)carbamoyl]-1H-pyrazol-5-yl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [4-[ethyl(phenyl)carbamoyl]-1H-pyrazol-5-yl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [4-[(N-ethylanilino)-oxomethyl]-1H-pyrazol-5-yl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [4-[ethyl(phenyl)carbamoyl]-1H-pyrazol-5-yl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [4-[ethyl(phenyl)carbamoyl]-1H-pyrazol-5-yl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C16H18N4O5 MolecularWeight: 346.33792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=C(NN=C2)[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=C(NN=C2)[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C12H14N4O.C4H4O4/c1-2-16(9-6-4-3-5-7-9)12(17)10-8-14-15-11(10)13;5-3(6)1-2-4(7)8/h3-8H,2H2,1H3,(H3,13,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-