3-(1H-imidazol-5-yl)propoxycarbonyl-pent-4-enyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(1H-imidazol-5-yl)propoxycarbonyl-pent-4-enyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; 3-(1H-imidazol-5-yl)propoxycarbonyl-pent-4-enyl-ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [3-(1H-imidazol-5-yl)propoxy-oxomethyl]-pent-4-enylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 3-(1H-imidazol-5-yl)propoxycarbonyl-pent-4-enylazanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; 3-(1H-imidazol-5-yl)propoxycarbonyl-pent-4-enyl-ammonium Formula: C16H23N3O6 MolecularWeight: 353.37032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCC[NH2+]C(=O)OCCCC1=CN=CN1.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C=CCCC[NH2+]C(=O)OCCCC1=CN=CN1.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C12H19N3O2.C4H4O4/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11;5-3(6)1-2-4(7)8/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16);1-2H,(H,5,6)(H,7,8)/b;2-1-