[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O5/c1-10-3-4-12(7-16(10)22(25)26)18(24)27-11(2)17(23)21-14-6-5-13(9-20)15(19)8-14/h3-8,11H,1-2H3,(H,21,23)/t11-/m1/s1