ethyl 2-[3-[4-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[4-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-[4-[(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]-1-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[4-[(5-oxo-2-phenyl-4-oxazolylidene)methyl]-1-phenyl-3-pyrazolyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-[4-[(5-keto-2-phenyl-2-oxazolin-4-ylidene)methyl]-1-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C28H23N4O4+ MolecularWeight: 479.50662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23N4O4/c1-2-35-25(33)19-31-15-9-12-21(17-31)26-22(18-32(30-26)23-13-7-4-8-14-23)16-24-28(34)36-27(29-24)20-10-5-3-6-11-20/h3-18H,2,19H2,1H3/q+1