(4bR,8aS)-8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol

Systemtic Name: (4bR,8aS)-8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol Openeye Name: (4bR,8aS)-8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol CAS Name: (4bR,8aS)-8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol IUPAC Name: (4bR,8aS)-8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol Traditional Name: (4bR,8aS)-8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC12CCCCC1C3=C(C=CC(=C3C=C2[N+](=O)[O-])O)O

Isomeric SMILES

CCO[C@@]12CCCC[C@@H]1C3=C(C=CC(=C3C=C2[N+](=O)[O-])O)O

InChI

InChI=1S/C16H19NO5/c1-2-22-16-8-4-3-5-11(16)15-10(9-14(16)17(20)21)12(18)6-7-13(15)19/h6-7,9,11,18-19H,2-5,8H2,1H3/t11-,16+/m1/s1