3-ethoxy-7-[5-[(5-ethoxycarbonyl-2-fluoranyl-phenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylic acid

Systemtic Name: 3-ethoxy-7-[5-[(5-ethoxycarbonyl-2-fluoranyl-phenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylic acid Openeye Name: 3-ethoxy-7-[5-[(5-ethoxycarbonyl-2-fluoro-phenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitro-quinoxaline-2-carboxylic acid CAS Name: 3-ethoxy-7-[5-[[(5-ethoxycarbonyl-2-fluoroanilino)-oxomethoxy]methyl]-1H-imidazol-2-yl]-6-nitro-2-quinoxalinecarboxylic acid IUPAC Name: 3-ethoxy-7-[5-[(5-ethoxycarbonyl-2-fluorophenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitroquinoxaline-2-carboxylic acid Traditional Name: 7-[5-[(5-carbethoxy-2-fluoro-phenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid Formula: C25H21FN6O9 MolecularWeight: 568.467443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])C3=NC=C(N3)COC(=O)NC4=C(C=CC(=C4)C(=O)OCC)F)N=C1C(=O)O

Isomeric SMILES

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])C3=NC=C(N3)COC(=O)NC4=C(C=CC(=C4)C(=O)OCC)F)N=C1C(=O)O

InChI

InChI=1S/C25H21FN6O9/c1-3-39-22-20(23(33)34)29-17-8-14(19(32(37)38)9-18(17)30-22)21-27-10-13(28-21)11-41-25(36)31-16-7-12(5-6-15(16)26)24(35)40-4-2/h5-10H,3-4,11H2,1-2H3,(H,27,28)(H,31,36)(H,33,34)