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

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23FN2O5 MolecularWeight: 390.405423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H23FN2O5/c1-10(19(24)22-15-2-3-16(21)17(9-15)23(26)27)28-20(25)18-13-5-11-4-12(7-13)8-14(18)6-11/h2-3,9-14,18H,4-8H2,1H3,(H,22,24)/t10-,11?,12?,13?,14?,18?/m1/s1