(E)-4-oxidanylidene-4-[[4-[[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]methyl]cyclohexyl]methylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[4-[[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]methyl]cyclohexyl]methylamino]but-2-enoic acid Openeye Name: (E)-4-[[4-[[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-[[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]methyl]cyclohexyl]methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-[[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-[[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-keto-but-2-enoic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C=CC(=O)O)CNC(=O)C=CC(=O)O

Isomeric SMILES

C1C(CCC(C1)CNC(=O)/C=C/C(=O)O)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H22N2O6/c19-13(5-7-15(21)22)17-9-11-1-2-12(4-3-11)10-18-14(20)6-8-16(23)24/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b7-5+,8-6+