ethyl 3-ethoxy-7-[5-(hydroxymethyl)-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-ethoxy-7-[5-(hydroxymethyl)-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylate Openeye Name: ethyl 3-ethoxy-7-[5-(hydroxymethyl)-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylate CAS Name: 3-ethoxy-7-[5-(hydroxymethyl)-1H-imidazol-2-yl]-6-nitro-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-ethoxy-7-[5-(hydroxymethyl)-1H-imidazol-2-yl]-6-nitroquinoxaline-2-carboxylate Traditional Name: 3-ethoxy-7-(5-methylol-1H-imidazol-2-yl)-6-nitro-quinoxaline-2-carboxylic acid ethyl ester Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])C3=NC=C(N3)CO)N=C1C(=O)OCC

Isomeric SMILES

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])C3=NC=C(N3)CO)N=C1C(=O)OCC

InChI

InChI=1S/C17H17N5O6/c1-3-27-16-14(17(24)28-4-2)20-11-5-10(15-18-7-9(8-23)19-15)13(22(25)26)6-12(11)21-16/h5-7,23H,3-4,8H2,1-2H3,(H,18,19)