ethyl 6-chloranyl-3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 6-chloro-3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]quinoxaline-2-carboxylate CAS Name: 6-chloro-3-ethoxy-7-[4-(hydroxymethyl)-1-imidazolyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]quinoxaline-2-carboxylate Traditional Name: 6-chloro-3-ethoxy-7-(4-methylolimidazol-1-yl)quinoxaline-2-carboxylic acid ethyl ester Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)OCC)N3C=C(N=C3)CO)Cl

Isomeric SMILES

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)OCC)N3C=C(N=C3)CO)Cl

InChI

InChI=1S/C17H17ClN4O4/c1-3-25-16-15(17(24)26-4-2)20-13-6-14(11(18)5-12(13)21-16)22-7-10(8-23)19-9-22/h5-7,9,23H,3-4,8H2,1-2H3