4-bromanyl-2,5,7-trinitro-fluoren-9-one; 1,12-dimethylbenzo[c]phenanthrene

Systemtic Name: 4-bromanyl-2,5,7-trinitro-fluoren-9-one; 1,12-dimethylbenzo[c]phenanthrene Openeye Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; 1,12-dimethylbenzo[c]phenanthrene CAS Name: 4-bromo-2,5,7-trinitro-9-fluorenone; 1,12-dimethylbenzo[c]phenanthrene IUPAC Name: 4-bromo-2,5,7-trinitrofluoren-9-one; 1,12-dimethylbenzo[c]phenanthrene Traditional Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; 1,12-dimethylbenzo[c]phenanthrene Formula: C33H20BrN3O7 MolecularWeight: 650.4318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C3=C(C=C2)C=CC4=C3C(=CC=C4)C.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1C3=C(C=C2)C=CC4=C3C(=CC=C4)C.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C20H16.C13H4BrN3O7/c1-13-5-3-7-15-9-11-17-12-10-16-8-4-6-14(2)19(16)20(17)18(13)15;14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24/h3-12H,1-2H3;1-4H