[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-butylphenyl)ethanoate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-butylphenyl)ethanoate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(4-butylphenyl)acetate CAS Name: 2-(4-butylphenyl)acetic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(4-butylphenyl)acetate Traditional Name: 2-(4-butylphenyl)acetic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-4-5-6-16-7-9-17(10-8-16)13-21(25)30-15(2)22(26)23-19-12-11-18(29-3)14-20(19)24(27)28/h7-12,14-15H,4-6,13H2,1-3H3,(H,23,26)/t15-/m1/s1