methyl 2-[1-(1H-benzimidazol-2-ylmethyl)-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]ethanoate

Systemtic Name: methyl 2-[1-(1H-benzimidazol-2-ylmethyl)-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]ethanoate Openeye Name: methyl 2-[1-(1H-benzimidazol-2-ylmethyl)-2-hydroxy-4-oxo-3-pyridyl]acetate CAS Name: 2-[1-(1H-benzimidazol-2-ylmethyl)-2-hydroxy-4-oxo-3-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1H-benzimidazol-2-ylmethyl)-2-hydroxy-4-oxopyridin-3-yl]acetate Traditional Name: 2-[1-(1H-benzimidazol-2-ylmethyl)-2-hydroxy-4-keto-3-pyridyl]acetic acid methyl ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N(C=CC1=O)CC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

COC(=O)CC1=C(N(C=CC1=O)CC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C16H15N3O4/c1-23-15(21)8-10-13(20)6-7-19(16(10)22)9-14-17-11-4-2-3-5-12(11)18-14/h2-7,22H,8-9H2,1H3,(H,17,18)