[(2R)-4-[4-[(3S)-3-acetyloxybutyl]-3-nitro-phenyl]butan-2-yl] ethanoate

Systemtic Name: [(2R)-4-[4-[(3S)-3-acetyloxybutyl]-3-nitro-phenyl]butan-2-yl] ethanoate Openeye Name: [(1R)-3-[4-[(3S)-3-acetoxybutyl]-3-nitro-phenyl]-1-methyl-propyl] acetate CAS Name: acetic acid [(2R)-4-[4-[(3S)-3-acetyloxybutyl]-3-nitrophenyl]butan-2-yl] ester IUPAC Name: [(2R)-4-[4-[(3S)-3-acetyloxybutyl]-3-nitrophenyl]butan-2-yl] acetate Traditional Name: acetic acid [(1R)-3-[4-[(3S)-3-acetoxybutyl]-3-nitro-phenyl]-1-methyl-propyl] ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C(C=C1)CCC(C)OC(=O)C)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

C[C@H](CCC1=CC(=C(C=C1)CC[C@H](C)OC(=O)C)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C18H25NO6/c1-12(24-14(3)20)5-7-16-8-10-17(18(11-16)19(22)23)9-6-13(2)25-15(4)21/h8,10-13H,5-7,9H2,1-4H3/t12-,13+/m1/s1