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

Systemtic Name: 3-ethoxy-7-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-6-nitro-quinoxaline-2-carboxylate Openeye Name: 3-ethoxy-7-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-6-nitro-quinoxaline-2-carboxylate CAS Name: 3-ethoxy-7-[[2-(hydroxymethyl)-1-imidazolyl]methyl]-6-nitro-2-quinoxalinecarboxylate IUPAC Name: 3-ethoxy-7-[[2-(hydroxymethyl)imidazol-1-yl]methyl]-6-nitroquinoxaline-2-carboxylate Traditional Name: 3-ethoxy-7-[(2-methylolimidazol-1-yl)methyl]-6-nitro-quinoxaline-2-carboxylate Formula: C16H14N5O6- MolecularWeight: 372.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])CN3C=CN=C3CO)N=C1C(=O)[O-]

Isomeric SMILES

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])CN3C=CN=C3CO)N=C1C(=O)[O-]

InChI

InChI=1S/C16H15N5O6/c1-2-27-15-14(16(23)24)18-10-5-9(7-20-4-3-17-13(20)8-22)12(21(25)26)6-11(10)19-15/h3-6,22H,2,7-8H2,1H3,(H,23,24)/p-1