2,6-dinitro-3-oxidanyl-4-[[(2-phenyl-3H-benzimidazol-5-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dinitro-3-oxidanyl-4-[[(2-phenyl-3H-benzimidazol-5-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-2,6-dinitro-4-[[(2-phenyl-3H-benzimidazol-5-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-2,6-dinitro-4-[[(2-phenyl-3H-benzimidazol-5-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-2,6-dinitro-4-[[(2-phenyl-3H-benzimidazol-5-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-2,6-dinitro-4-[[(2-phenyl-3H-benzimidazol-5-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C20H13N5O6 MolecularWeight: 419.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC=C4C=C(C(=O)C(=C4O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC=C4C=C(C(=O)C(=C4O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O6/c26-18-12(8-16(24(28)29)19(27)17(18)25(30)31)10-21-13-6-7-14-15(9-13)23-20(22-14)11-4-2-1-3-5-11/h1-10,21,26H,(H,22,23)