[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-6-carboxylate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H13FN4O5 MolecularWeight: 384.318023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C18H13FN4O5/c1-10(17(24)22-12-3-4-13(19)16(9-12)23(26)27)28-18(25)11-2-5-14-15(8-11)21-7-6-20-14/h2-10H,1H3,(H,22,24)/t10-/m1/s1