1,1-dimethyl-8-nitro-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: 1,1-dimethyl-8-nitro-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: 1,1-dimethyl-8-nitro-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: 1,1-dimethyl-8-nitro-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: 1,1-dimethyl-8-nitro-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: 1,1-dimethyl-8-nitro-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CC(=O)C3=C2C=CC=C3[N+](=O)[O-])C[N+](=O)[O-])C

Isomeric SMILES

CC1(CCCC2(C1CC(=O)C3=C2C=CC=C3[N+](=O)[O-])C[N+](=O)[O-])C

InChI

InChI=1S/C17H20N2O5/c1-16(2)7-4-8-17(10-18(21)22)11-5-3-6-12(19(23)24)15(11)13(20)9-14(16)17/h3,5-6,14H,4,7-10H2,1-2H3