1-isocyanato-3-nitro-benzene; 1-isocyanato-4-nitro-benzene

Systemtic Name: 1-isocyanato-3-nitro-benzene; 1-isocyanato-4-nitro-benzene Openeye Name: 1-isocyanato-3-nitro-benzene; 1-isocyanato-4-nitro-benzene CAS Name: 1-isocyanato-3-nitrobenzene; 1-isocyanato-4-nitrobenzene IUPAC Name: 1-isocyanato-3-nitrobenzene; 1-isocyanato-4-nitrobenzene Traditional Name: 1-isocyanato-3-nitro-benzene; 1-isocyanato-4-nitro-benzene Formula: C14H8N4O6 MolecularWeight: 328.23652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N=C=O.C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N=C=O.C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

InChI

InChI=1S/2C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12;10-5-8-6-2-1-3-7(4-6)9(11)12/h2*1-4H