O1-methyl O3-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(1R)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester O1-methyl ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC(C)C)NC(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7/c1-11(2)5-6-12(3)19-16(21)10-27-18(23)14-7-13(17(22)26-4)8-15(9-14)20(24)25/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,21)/t12-/m1/s1