(2,4-dinitrophenyl)-isocyanato-methanone

Systemtic Name: (2,4-dinitrophenyl)-isocyanato-methanone Openeye Name: 2,4-dinitrobenzoyl isocyanate CAS Name: (2,4-dinitrophenyl)-isocyanatomethanone IUPAC Name: 2,4-dinitrobenzoyl isocyanate Traditional Name: (2,4-dinitrophenyl)-isocyanato-methanone Formula: C8H3N3O6 MolecularWeight: 237.12592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H3N3O6/c12-4-9-8(13)6-2-1-5(10(14)15)3-7(6)11(16)17/h1-3H