(2S,3R,9aR)-2-ethoxy-3-nitro-1,2,3,9a-tetrahydroanthracene-9,10-dione

Systemtic Name: (2S,3R,9aR)-2-ethoxy-3-nitro-1,2,3,9a-tetrahydroanthracene-9,10-dione Openeye Name: (2S,3R,9aR)-2-ethoxy-3-nitro-1,2,3,9a-tetrahydroanthracene-9,10-dione CAS Name: (2S,3R,9aR)-2-ethoxy-3-nitro-1,2,3,9a-tetrahydroanthracene-9,10-dione IUPAC Name: (2S,3R,9aR)-2-ethoxy-3-nitro-1,2,3,9a-tetrahydroanthracene-9,10-dione Traditional Name: (2S,3R,9aR)-2-ethoxy-3-nitro-1,2,3,9a-tetrahydroanthracene-9,10-quinone Formula: C16H15NO5 MolecularWeight: 301.294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC2C(=CC1[N+](=O)[O-])C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCO[C@H]1C[C@@H]2C(=C[C@H]1[N+](=O)[O-])C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15NO5/c1-2-22-14-8-12-11(7-13(14)17(20)21)15(18)9-5-3-4-6-10(9)16(12)19/h3-7,12-14H,2,8H2,1H3/t12-,13-,14+/m1/s1