4-nitro-2-prop-2-enyl-benzoic acid

Systemtic Name: 4-nitro-2-prop-2-enyl-benzoic acid Openeye Name: 2-allyl-4-nitro-benzoic acid CAS Name: 4-nitro-2-prop-2-enylbenzoic acid IUPAC Name: 4-nitro-2-prop-2-enylbenzoic acid Traditional Name: 2-allyl-4-nitro-benzoic acid Formula: C10H9NO4 MolecularWeight: 207.18276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4/c1-2-3-7-6-8(11(14)15)4-5-9(7)10(12)13/h2,4-6H,1,3H2,(H,12,13)