[(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H24ClN3O5 MolecularWeight: 469.91746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)O[C@H](C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H24ClN3O5/c1-4-8-19-16(5-2)22(17-9-6-7-10-20(17)26-19)24(30)33-14(3)23(29)27-21-12-11-15(28(31)32)13-18(21)25/h6-7,9-14H,4-5,8H2,1-3H3,(H,27,29)/t14-/m1/s1