3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,7-trinitrofluoren-9-one Openeye Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,7-trinitrofluoren-9-one CAS Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,7-trinitro-9-fluorenone IUPAC Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,7-trinitrofluoren-9-one Traditional Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,7-trinitrofluoren-9-one Formula: C32H23N3O9 MolecularWeight: 593.53972

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=C1C3=C(C(=O)C2)C4=C(C=C3)C=C(C=C4)OC.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC12CCC=C1C3=C(C(=O)C2)C4=C(C=C3)C=C(C=C4)OC.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18O2.C13H5N3O7/c1-19-9-3-4-16(19)15-7-5-12-10-13(21-2)6-8-14(12)18(15)17(20)11-19;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h4-8,10H,3,9,11H2,1-2H3;1-5H