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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.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/c1-2-14-7-5-8-16-12-13-17-11-10-15-6-3-4-9-18(15)20(17)19(14)16;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/h3-13H,2H2,1H3;1-4H