O1-methyl O3-[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7/c1-12(2)6-5-7-13(3)20-17(22)11-28-19(24)15-8-14(18(23)27-4)9-16(10-15)21(25)26/h8-10,12-13H,5-7,11H2,1-4H3,(H,20,22)/t13-/m0/s1