[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[(1R)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[[(1R)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-12(2)6-5-7-14(4)19-17(21)11-25-18(22)15-8-9-16(20(23)24)13(3)10-15/h8-10,12,14H,5-7,11H2,1-4H3,(H,19,21)/t14-/m1/s1