O3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester O1-methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-4-13(2)14-5-7-15(8-6-14)19(23)12-29-21(25)17-9-16(20(24)28-3)10-18(11-17)22(26)27/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1