[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[[(1R)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N[C@H](C)CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5/c1-11(2)5-6-13(4)18-16(20)10-24-17(21)14-7-8-15(19(22)23)12(3)9-14/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,20)/t13-/m1/s1