[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-3-14(2)15-4-6-16(7-5-15)19(22)12-27-20(23)13-26-18-10-8-17(9-11-18)21(24)25/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1