4-methyl-2-[(phenylmethylidene)amino]-6-propyl-phenol; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 4-methyl-2-[(phenylmethylidene)amino]-6-propyl-phenol; 2,4,7-trinitrofluoren-9-one Openeye Name: 2-(benzylideneamino)-4-methyl-6-propyl-phenol; 2,4,7-trinitrofluoren-9-one CAS Name: 4-methyl-2-[(phenylmethylene)amino]-6-propylphenol; 2,4,7-trinitro-9-fluorenone IUPAC Name: 2-(benzylideneamino)-4-methyl-6-propylphenol; 2,4,7-trinitrofluoren-9-one Traditional Name: 2-(benzalamino)-4-methyl-6-propyl-phenol; 2,4,7-trinitrofluoren-9-one Formula: C30H24N4O8 MolecularWeight: 568.53356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C)N=CC2=CC=CC=C2)O.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C)N=CC2=CC=CC=C2)O.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19NO.C13H5N3O7/c1-3-7-15-10-13(2)11-16(17(15)19)18-12-14-8-5-4-6-9-14;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/h4-6,8-12,19H,3,7H2,1-2H3;1-5H