O5-ethyl O2,O3-dimethyl 4-oxidanylidene-1-[1-(phenylmethyl)imidazol-4-yl]pyridine-2,3,5-tricarboxylate

Systemtic Name: O5-ethyl O2,O3-dimethyl 4-oxidanylidene-1-[1-(phenylmethyl)imidazol-4-yl]pyridine-2,3,5-tricarboxylate Openeye Name: O5-ethyl O2,O3-dimethyl 1-(1-benzylimidazol-4-yl)-4-oxo-pyridine-2,3,5-tricarboxylate CAS Name: 4-oxo-1-[1-(phenylmethyl)-4-imidazolyl]pyridine-2,3,5-tricarboxylic acid O5-ethyl ester O2,O3-dimethyl ester IUPAC Name: 5-O-ethyl 2-O,3-O-dimethyl 1-(1-benzylimidazol-4-yl)-4-oxopyridine-2,3,5-tricarboxylate Traditional Name: 1-(1-benzylimidazol-4-yl)-4-keto-pyridine-2,3,5-tricarboxylic acid O5-ethyl ester O2,O3-dimethyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C(C1=O)C(=O)OC)C(=O)OC)C2=CN(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C(C1=O)C(=O)OC)C(=O)OC)C2=CN(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O7/c1-4-32-20(27)15-11-25(18(22(29)31-3)17(19(15)26)21(28)30-2)16-12-24(13-23-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3