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

Systemtic Name: 3-ethoxy-7-[5-(hydroxymethyl)-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylate Openeye Name: 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-quinoxalinecarboxylate IUPAC Name: 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-carboxylate Formula: C15H12N5O6- MolecularWeight: 358.28568

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O6/c1-2-26-14-12(15(22)23)18-9-3-8(13-16-5-7(6-21)17-13)11(20(24)25)4-10(9)19-14/h3-5,21H,2,6H2,1H3,(H,16,17)(H,22,23)/p-1