2-[5-acetamido-2-nitro-4-[(2S)-octan-2-yl]oxy-phenyl]benzoate

Systemtic Name: 2-[5-acetamido-2-nitro-4-[(2S)-octan-2-yl]oxy-phenyl]benzoate Openeye Name: 2-[5-acetamido-4-[(1S)-1-methylheptoxy]-2-nitro-phenyl]benzoate CAS Name: 2-[5-acetamido-2-nitro-4-[(2S)-octan-2-yl]oxyphenyl]benzoate IUPAC Name: 2-[5-acetamido-2-nitro-4-[(2S)-octan-2-yl]oxyphenyl]benzoate Traditional Name: 2-[5-acetamido-4-[(1S)-1-methylheptoxy]-2-nitro-phenyl]benzoate Formula: C23H27N2O6- MolecularWeight: 427.47028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=CC=C2C(=O)[O-])NC(=O)C

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=CC=C2C(=O)[O-])NC(=O)C

InChI

InChI=1S/C23H28N2O6/c1-4-5-6-7-10-15(2)31-22-14-21(25(29)30)19(13-20(22)24-16(3)26)17-11-8-9-12-18(17)23(27)28/h8-9,11-15H,4-7,10H2,1-3H3,(H,24,26)(H,27,28)/p-1/t15-/m0/s1