2-[5-chloranyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-1H-imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-1H-imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-benzyl-5-chloro-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazol-4-yl]acetic acid CAS Name: 2-[5-chloro-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-1H-imidazol-4-yl]acetic acid IUPAC Name: 2-[3-benzyl-5-chloro-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazol-4-yl]acetic acid Traditional Name: 2-[3-benzyl-5-chloro-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-imidazolin-4-yl]acetic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(NC2=C3C=CC(=O)C=C3)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(NC2=C3C=CC(=O)C=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H15ClN2O3/c19-17-15(10-16(23)24)21(11-12-4-2-1-3-5-12)18(20-17)13-6-8-14(22)9-7-13/h1-9,20H,10-11H2,(H,23,24)