3-[3,5-bis(chloranyl)-6-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)pyrazin-2-yl]benzoic acid

Systemtic Name: 3-[3,5-bis(chloranyl)-6-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)pyrazin-2-yl]benzoic acid Openeye Name: 3-[1-(2-benzyloxy-2-oxo-ethyl)-3,5-dichloro-6-oxo-pyrazin-2-yl]benzoic acid CAS Name: 3-[3,5-dichloro-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-2-pyrazinyl]benzoic acid IUPAC Name: 3-[3,5-dichloro-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)pyrazin-2-yl]benzoic acid Traditional Name: 3-[1-(2-benzoxy-2-keto-ethyl)-3,5-dichloro-6-keto-pyrazin-2-yl]benzoic acid Formula: C20H14Cl2N2O5 MolecularWeight: 433.24156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)Cl)Cl)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)Cl)Cl)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C20H14Cl2N2O5/c21-17-16(13-7-4-8-14(9-13)20(27)28)24(19(26)18(22)23-17)10-15(25)29-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,27,28)