3-[[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C16H18ClN3O5 MolecularWeight: 367.78422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CNC(=O)C3C(O3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CNC(=O)C3C(O3)C(=O)O

InChI

InChI=1S/C16H18ClN3O5/c17-10-3-1-2-4-11(10)19-5-7-20(8-6-19)12(21)9-18-15(22)13-14(25-13)16(23)24/h1-4,13-14H,5-9H2,(H,18,22)(H,23,24)