[(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] ethanoate

Systemtic Name: [(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] ethanoate Openeye Name: [(5S,6R)-6-acetoxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] acetate CAS Name: acetic acid [(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] ester IUPAC Name: [(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] acetate Traditional Name: acetic acid [(5S,6R)-6-acetoxy-7-nitro-5,6-dihydrobenz[a]anthracen-5-yl] ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C3=CC=CC=C3C=C2C4=CC=CC=C14)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](C2=C(C3=CC=CC=C3C=C2C4=CC=CC=C14)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C22H17NO6/c1-12(24)28-21-17-10-6-5-9-16(17)18-11-14-7-3-4-8-15(14)20(23(26)27)19(18)22(21)29-13(2)25/h3-11,21-22H,1-2H3/t21-,22+/m0/s1