(E)-4-[(1-ethynylcyclohexyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1-ethynylcyclohexyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1-ethynylcyclohexyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1-ethynylcyclohexyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1-ethynylcyclohexyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(1-ethynylcyclohexyl)amino]-4-keto-but-2-enoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)NC(=O)C=CC(=O)O

Isomeric SMILES

C#CC1(CCCCC1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H15NO3/c1-2-12(8-4-3-5-9-12)13-10(14)6-7-11(15)16/h1,6-7H,3-5,8-9H2,(H,13,14)(H,15,16)/b7-6+