3-[(3-azanyl-2,4,6-trinitro-phenyl)amino]phenol

Systemtic Name: 3-[(3-azanyl-2,4,6-trinitro-phenyl)amino]phenol Openeye Name: 3-(3-amino-2,4,6-trinitro-anilino)phenol CAS Name: 3-(3-amino-2,4,6-trinitroanilino)phenol IUPAC Name: 3-(3-amino-2,4,6-trinitroanilino)phenol Traditional Name: 3-(3-amino-2,4,6-trinitro-anilino)phenol Formula: C12H9N5O7 MolecularWeight: 335.22916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)O)NC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O7/c13-10-8(15(19)20)5-9(16(21)22)11(12(10)17(23)24)14-6-2-1-3-7(18)4-6/h1-5,14,18H,13H2