3-nitro-4-[(E)-2-nitroprop-1-enyl]benzoic acid

Systemtic Name: 3-nitro-4-[(E)-2-nitroprop-1-enyl]benzoic acid Openeye Name: 3-nitro-4-[(E)-2-nitroprop-1-enyl]benzoic acid CAS Name: 3-nitro-4-[(E)-2-nitroprop-1-enyl]benzoic acid IUPAC Name: 3-nitro-4-[(E)-2-nitroprop-1-enyl]benzoic acid Traditional Name: 3-nitro-4-[(E)-2-nitroprop-1-enyl]benzoic acid Formula: C10H8N2O6 MolecularWeight: 252.18032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O6/c1-6(11(15)16)4-7-2-3-8(10(13)14)5-9(7)12(17)18/h2-5H,1H3,(H,13,14)/b6-4+