(E)-4-(2-adamantylamino)-2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(2-adamantylamino)-2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-adamantylamino)-2,3-dichloro-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-adamantylamino)-2,3-dichloro-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-adamantylamino)-2,3-dichloro-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-adamantylamino)-2,3-dichloro-4-keto-but-2-enoic acid Formula: C14H17Cl2NO3 MolecularWeight: 318.19568

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C(=C(C(=O)O)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)/C(=C(/C(=O)O)\Cl)/Cl

InChI

InChI=1S/C14H17Cl2NO3/c15-10(11(16)14(19)20)13(18)17-12-8-2-6-1-7(4-8)5-9(12)3-6/h6-9,12H,1-5H2,(H,17,18)(H,19,20)/b11-10+