2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-butanoyl]piperazine-1-carboxylic acid

Systemtic Name: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-butanoyl]piperazine-1-carboxylic acid Openeye Name: 2-[(2E)-2-[(4-chlorophenyl)methylene]-3-oxo-butanoyl]piperazine-1-carboxylic acid CAS Name: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-1,3-dioxobutyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoyl]piperazine-1-carboxylic acid Traditional Name: 2-[(E)-2-acetyl-3-(4-chlorophenyl)acryloyl]piperazine-1-carboxylic acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)Cl)C(=O)C2CNCCN2C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C(=O)C2CNCCN2C(=O)O

InChI

InChI=1S/C16H17ClN2O4/c1-10(20)13(8-11-2-4-12(17)5-3-11)15(21)14-9-18-6-7-19(14)16(22)23/h2-5,8,14,18H,6-7,9H2,1H3,(H,22,23)/b13-8+