2-[(4-chloranyl-1-ethyl-pyrrol-2-yl)carbonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(4-chloranyl-1-ethyl-pyrrol-2-yl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(4-chloro-1-ethyl-pyrrole-2-carbonyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(4-chloro-1-ethyl-2-pyrrolyl)-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(4-chloro-1-ethyl-pyrrole-2-carbonyl)amino]-3,3-dimethyl-butyric acid Formula: C13H19ClN2O3 MolecularWeight: 286.75456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NC(C(=O)O)C(C)(C)C)Cl

Isomeric SMILES

CCN1C=C(C=C1C(=O)NC(C(=O)O)C(C)(C)C)Cl

InChI

InChI=1S/C13H19ClN2O3/c1-5-16-7-8(14)6-9(16)11(17)15-10(12(18)19)13(2,3)4/h6-7,10H,5H2,1-4H3,(H,15,17)(H,18,19)