1-(2-isocyanoethyl)-4-nitro-benzene

Systemtic Name: 1-(2-isocyanoethyl)-4-nitro-benzene Openeye Name: 1-(2-isocyanoethyl)-4-nitro-benzene CAS Name: 1-(2-isocyanoethyl)-4-nitrobenzene IUPAC Name: 1-(2-isocyanoethyl)-4-nitrobenzene Traditional Name: 1-(2-isocyanoethyl)-4-nitro-benzene Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]CCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O2/c1-10-7-6-8-2-4-9(5-3-8)11(12)13/h2-5H,6-7H2