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

Systemtic Name: 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-oxidanylideneprop-2-enyl)oxirane-2-carboxylic acid Openeye Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-oxoallyl)oxirane-2-carboxylic acid CAS Name: 2-carbamoyl-3-[4-(2-chlorophenyl)-1-piperazinyl]-3-(3-oxoprop-2-enyl)-2-oxiranecarboxylic acid IUPAC Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-oxoprop-2-enyl)oxirane-2-carboxylic acid Traditional Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazino]-3-(3-ketoallyl)oxirane-2-carboxylic acid Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5/c18-12-4-1-2-5-13(12)20-7-9-21(10-8-20)16(6-3-11-22)17(26-16,14(19)23)15(24)25/h1-5H,6-10H2,(H2,19,23)(H,24,25)