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

Systemtic Name: 4-bromanyl-2,5,7-trinitro-fluoren-9-one; naphtho[1,2-b]phenanthrene Openeye Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; naphtho[1,2-b]phenanthrene CAS Name: 4-bromo-2,5,7-trinitro-9-fluorenone; naphtho[1,2-b]phenanthrene IUPAC Name: 4-bromo-2,5,7-trinitrofluoren-9-one; naphtho[1,2-b]phenanthrene Traditional Name: 4-bromo-2,5,7-trinitro-fluoren-9-one; naphtho[1,2-b]phenanthrene Formula: C35H18BrN3O7 MolecularWeight: 672.43732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32.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/C22H14.C13H4BrN3O7/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22;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/h1-14H;1-4H