1-nitro-3-[(E)-2-nitroprop-1-enyl]benzene

Systemtic Name: 1-nitro-3-[(E)-2-nitroprop-1-enyl]benzene Openeye Name: 1-nitro-3-[(E)-2-nitroprop-1-enyl]benzene CAS Name: 1-nitro-3-[(E)-2-nitroprop-1-enyl]benzene IUPAC Name: 1-nitro-3-[(E)-2-nitroprop-1-enyl]benzene Traditional Name: 1-nitro-3-[(E)-2-nitroprop-1-enyl]benzene Formula: C9H8N2O4 MolecularWeight: 208.17082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O4/c1-7(10(12)13)5-8-3-2-4-9(6-8)11(14)15/h2-6H,1H3/b7-5+