1-isocyanato-2-nitro-4-(trichloromethyl)benzene

Systemtic Name: 1-isocyanato-2-nitro-4-(trichloromethyl)benzene Openeye Name: 1-isocyanato-2-nitro-4-(trichloromethyl)benzene CAS Name: 1-isocyanato-2-nitro-4-(trichloromethyl)benzene IUPAC Name: 1-isocyanato-2-nitro-4-(trichloromethyl)benzene Traditional Name: 1-isocyanato-2-nitro-4-(trichloromethyl)benzene Formula: C8H3Cl3N2O3 MolecularWeight: 281.48002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(Cl)(Cl)Cl)[N+](=O)[O-])N=C=O

Isomeric SMILES

C1=CC(=C(C=C1C(Cl)(Cl)Cl)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C8H3Cl3N2O3/c9-8(10,11)5-1-2-6(12-4-14)7(3-5)13(15)16/h1-3H