[(3R,4S)-4-methyl-5-(4-nitrophenyl)carbonyloxy-3-[(1R)-1-phenylethoxy]pentyl] 4-nitrobenzoate

Systemtic Name: [(3R,4S)-4-methyl-5-(4-nitrophenyl)carbonyloxy-3-[(1R)-1-phenylethoxy]pentyl] 4-nitrobenzoate Openeye Name: [(3R,4S)-4-methyl-5-(4-nitrobenzoyl)oxy-3-[(1R)-1-phenylethoxy]pentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R,4S)-4-methyl-5-[(4-nitrophenyl)-oxomethoxy]-3-[(1R)-1-phenylethoxy]pentyl] ester IUPAC Name: [(3R,4S)-4-methyl-5-(4-nitrobenzoyl)oxy-3-[(1R)-1-phenylethoxy]pentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3R,4S)-4-methyl-5-(4-nitrobenzoyl)oxy-3-[(1R)-1-phenylethoxy]pentyl] ester Formula: C28H28N2O9 MolecularWeight: 536.52992

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C28H28N2O9/c1-19(18-38-28(32)23-10-14-25(15-11-23)30(35)36)26(39-20(2)21-6-4-3-5-7-21)16-17-37-27(31)22-8-12-24(13-9-22)29(33)34/h3-15,19-20,26H,16-18H2,1-2H3/t19-,20+,26+/m0/s1