2-[(2E)-4-ethanoyl-3,6-bis(oxidanylidene)-2-(phenylmethylidene)piperazin-1-ium-1-ylidene]ethanoic acid

Systemtic Name: 2-[(2E)-4-ethanoyl-3,6-bis(oxidanylidene)-2-(phenylmethylidene)piperazin-1-ium-1-ylidene]ethanoic acid Openeye Name: 2-[(2E)-4-acetyl-2-benzylidene-3,6-dioxo-piperazin-1-ium-1-ylidene]acetic acid CAS Name: 2-[(2E)-4-acetyl-3,6-dioxo-2-(phenylmethylene)-1-piperazin-1-iumylidene]acetic acid IUPAC Name: 2-[(2E)-4-acetyl-2-benzylidene-3,6-dioxopiperazin-1-ium-1-ylidene]acetic acid Traditional Name: 2-[(2E)-4-acetyl-2-benzal-3,6-diketo-piperazin-1-ium-1-ylidene]acetic acid Formula: C15H13N2O5+ MolecularWeight: 301.27412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)[N+](=CC(=O)O)C(=CC2=CC=CC=C2)C1=O

Isomeric SMILES

CC(=O)N1CC(=O)[N+](=CC(=O)O)/C(=C/C2=CC=CC=C2)/C1=O

InChI

InChI=1S/C15H12N2O5/c1-10(18)16-8-13(19)17(9-14(20)21)12(15(16)22)7-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/p+1/b12-7+,17-9?