2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-oxidanylideneethenyl)oxirane-2-carboxylic acid

Systemtic Name: 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-oxidanylideneethenyl)oxirane-2-carboxylic acid Openeye Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-oxovinyl)oxirane-2-carboxylic acid CAS Name: 2-carbamoyl-3-[4-(2-chlorophenyl)-1-piperazinyl]-3-(2-oxoethenyl)-2-oxiranecarboxylic acid IUPAC Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-oxoethenyl)oxirane-2-carboxylic acid Traditional Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazino]-3-(2-ketovinyl)oxirane-2-carboxylic acid Formula: C16H16ClN3O5 MolecularWeight: 365.76834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C3(C(O3)(C(=O)N)C(=O)O)C=C=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C3(C(O3)(C(=O)N)C(=O)O)C=C=O

InChI

InChI=1S/C16H16ClN3O5/c17-11-3-1-2-4-12(11)19-6-8-20(9-7-19)15(5-10-21)16(25-15,13(18)22)14(23)24/h1-5H,6-9H2,(H2,18,22)(H,23,24)