1-isocyanato-4-[(4-isocyanato-3-nitro-phenyl)methyl]-2-nitro-benzene

Systemtic Name: 1-isocyanato-4-[(4-isocyanato-3-nitro-phenyl)methyl]-2-nitro-benzene Openeye Name: 1-isocyanato-4-[(4-isocyanato-3-nitro-phenyl)methyl]-2-nitro-benzene CAS Name: 1-isocyanato-4-[(4-isocyanato-3-nitrophenyl)methyl]-2-nitrobenzene IUPAC Name: 1-isocyanato-4-[(4-isocyanato-3-nitrophenyl)methyl]-2-nitrobenzene Traditional Name: 1-isocyanato-4-(4-isocyanato-3-nitro-benzyl)-2-nitro-benzene Formula: C15H8N4O6 MolecularWeight: 340.24722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N=C=O)[N+](=O)[O-])[N+](=O)[O-])N=C=O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N=C=O)[N+](=O)[O-])[N+](=O)[O-])N=C=O

InChI

InChI=1S/C15H8N4O6/c20-8-16-12-3-1-10(6-14(12)18(22)23)5-11-2-4-13(17-9-21)15(7-11)19(24)25/h1-4,6-7H,5H2