(3aS,4R,9aR,9bR)-3a-methoxy-4-nitro-1,2,3,4,9a,9b-hexahydrocyclopenta[a]naphthalene-6,9-dione

Systemtic Name: (3aS,4R,9aR,9bR)-3a-methoxy-4-nitro-1,2,3,4,9a,9b-hexahydrocyclopenta[a]naphthalene-6,9-dione Openeye Name: (3aS,4R,9aR,9bR)-3a-methoxy-4-nitro-1,2,3,4,9a,9b-hexahydrocyclopenta[a]naphthalene-6,9-dione CAS Name: (3aS,4R,9aR,9bR)-3a-methoxy-4-nitro-1,2,3,4,9a,9b-hexahydrocyclopenta[a]naphthalene-6,9-dione IUPAC Name: (3aS,4R,9aR,9bR)-3a-methoxy-4-nitro-1,2,3,4,9a,9b-hexahydrocyclopenta[a]naphthalene-6,9-dione Traditional Name: (3aS,4R,9aR,9bR)-3a-methoxy-4-nitro-1,2,3,4,9a,9b-hexahydrobenz[e]indene-6,9-quinone Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

COC12CCCC1C3C(=O)C=CC(=O)C3=CC2[N+](=O)[O-]

Isomeric SMILES

CO[C@@]12CCC[C@@H]1[C@H]3C(=O)C=CC(=O)C3=C[C@H]2[N+](=O)[O-]

InChI

InChI=1S/C14H15NO5/c1-20-14-6-2-3-9(14)13-8(7-12(14)15(18)19)10(16)4-5-11(13)17/h4-5,7,9,12-13H,2-3,6H2,1H3/t9-,12-,13+,14+/m1/s1