2-phenyl-7-propyl-1,3-benzoxazole; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 2-phenyl-7-propyl-1,3-benzoxazole; 2,4,7-trinitrofluoren-9-one Openeye Name: 2-phenyl-7-propyl-1,3-benzoxazole; 2,4,7-trinitrofluoren-9-one CAS Name: 2-phenyl-7-propyl-1,3-benzoxazole; 2,4,7-trinitro-9-fluorenone IUPAC Name: 2-phenyl-7-propyl-1,3-benzoxazole; 2,4,7-trinitrofluoren-9-one Traditional Name: 2-phenyl-7-propyl-1,3-benzoxazole; 2,4,7-trinitrofluoren-9-one Formula: C29H20N4O8 MolecularWeight: 552.4911

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=C1)N=C(O2)C3=CC=CC=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=C2C(=CC=C1)N=C(O2)C3=CC=CC=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15NO.C13H5N3O7/c1-2-7-12-10-6-11-14-15(12)18-16(17-14)13-8-4-3-5-9-13;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/h3-6,8-11H,2,7H2,1H3;1-5H