[4-(2-chloroethyl)-1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazolidin-4-yl]carbamic acid

Systemtic Name: [4-(2-chloroethyl)-1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazolidin-4-yl]carbamic acid Openeye Name: [4-(2-chloroethyl)-1,5-dimethyl-3-oxo-2-phenyl-pyrazolidin-4-yl]carbamic acid CAS Name: [4-(2-chloroethyl)-1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolidinyl]carbamic acid IUPAC Name: [4-(2-chloroethyl)-1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl]carbamic acid Traditional Name: [4-(2-chloroethyl)-3-keto-1,5-dimethyl-2-phenyl-pyrazolidin-4-yl]carbamic acid Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N1C)C2=CC=CC=C2)(CCCl)NC(=O)O

Isomeric SMILES

CC1C(C(=O)N(N1C)C2=CC=CC=C2)(CCCl)NC(=O)O

InChI

InChI=1S/C14H18ClN3O3/c1-10-14(8-9-15,16-13(20)21)12(19)18(17(10)2)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,20,21)