4-chloranyl-2-(isocyanomethyl)-1-nitro-benzene

Systemtic Name: 4-chloranyl-2-(isocyanomethyl)-1-nitro-benzene Openeye Name: 4-chloro-2-(isocyanomethyl)-1-nitro-benzene CAS Name: 4-chloro-2-(isocyanomethyl)-1-nitrobenzene IUPAC Name: 4-chloro-2-(isocyanomethyl)-1-nitrobenzene Traditional Name: 4-chloro-2-(isocyanomethyl)-1-nitro-benzene Formula: C8H5ClN2O2 MolecularWeight: 196.5905

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H5ClN2O2/c1-10-5-6-4-7(9)2-3-8(6)11(12)13/h2-4H,5H2