5-nitro-2-prop-2-enyl-benzenecarbonitrile

Systemtic Name: 5-nitro-2-prop-2-enyl-benzenecarbonitrile Openeye Name: 2-allyl-5-nitro-benzonitrile CAS Name: 5-nitro-2-prop-2-enylbenzonitrile IUPAC Name: 5-nitro-2-prop-2-enylbenzonitrile Traditional Name: 2-allyl-5-nitro-benzonitrile Formula: C10H8N2O2 MolecularWeight: 188.18272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O2/c1-2-3-8-4-5-10(12(13)14)6-9(8)7-11/h2,4-6H,1,3H2