4,4-bis(chloranyl)-2-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]but-3-enoic acid

Systemtic Name: 4,4-bis(chloranyl)-2-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]but-3-enoic acid Openeye Name: 4,4-dichloro-2-[(1,1-dimethyl-3-oxo-butyl)amino]but-3-enoic acid CAS Name: 4,4-dichloro-2-[(2-methyl-4-oxopentan-2-yl)amino]-3-butenoic acid IUPAC Name: 4,4-dichloro-2-[(2-methyl-4-oxopentan-2-yl)amino]but-3-enoic acid Traditional Name: 4,4-dichloro-2-[(3-keto-1,1-dimethyl-butyl)amino]but-3-enoic acid Formula: C10H15Cl2NO3 MolecularWeight: 268.137

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(C=C(Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)CC(C)(C)NC(C=C(Cl)Cl)C(=O)O

InChI

InChI=1S/C10H15Cl2NO3/c1-6(14)5-10(2,3)13-7(9(15)16)4-8(11)12/h4,7,13H,5H2,1-3H3,(H,15,16)