(1-isocyanato-1-oxidanylidene-propan-2-yl) 4-nitrobenzoate

Systemtic Name: (1-isocyanato-1-oxidanylidene-propan-2-yl) 4-nitrobenzoate Openeye Name: (2-isocyanato-1-methyl-2-oxo-ethyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-isocyanato-1-oxopropan-2-yl) ester IUPAC Name: (1-isocyanato-1-oxopropan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-isocyanato-2-keto-1-methyl-ethyl) ester Formula: C11H8N2O6 MolecularWeight: 264.19102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O6/c1-7(10(15)12-6-14)19-11(16)8-2-4-9(5-3-8)13(17)18/h2-5,7H,1H3