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

Systemtic Name: [(2R)-1-[(2-cyano-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [(1R)-2-(2-cyano-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [(2R)-1-(2-cyano-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyano-4-nitroanilino)-1-oxopropan-2-yl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [(1R)-2-(2-cyano-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H20N4O5 MolecularWeight: 432.4287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)O[C@H](C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C23H20N4O5/c1-4-18-21(13(2)17-7-5-6-8-20(17)25-18)23(29)32-14(3)22(28)26-19-10-9-16(27(30)31)11-15(19)12-24/h5-11,14H,4H2,1-3H3,(H,26,28)/t14-/m1/s1