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

Systemtic Name: ethyl 3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitro-quinoxaline-2-carboxylate Openeye Name: ethyl 3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitro-quinoxaline-2-carboxylate CAS Name: 3-ethoxy-7-[4-(hydroxymethyl)-1-imidazolyl]-6-nitro-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitroquinoxaline-2-carboxylate Traditional Name: 3-ethoxy-7-(4-methylolimidazol-1-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=CC(=C(C=C2N=C1C(=O)OCC)N3C=C(N=C3)CO)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)OCC)N3C=C(N=C3)CO)[N+](=O)[O-]

InChI

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