(3-acetyloxy-4-prop-1-en-2-yl-phenyl) ethanoate; 4-nitrobenzoic acid

Systemtic Name: (3-acetyloxy-4-prop-1-en-2-yl-phenyl) ethanoate; 4-nitrobenzoic acid Openeye Name: (3-acetoxy-4-isopropenyl-phenyl) acetate; 4-nitrobenzoic acid CAS Name: acetic acid [3-acetyloxy-4-(1-methylethenyl)phenyl] ester; 4-nitrobenzoic acid IUPAC Name: (3-acetyloxy-4-prop-1-en-2-ylphenyl) acetate; 4-nitrobenzoic acid Traditional Name: acetic acid (3-acetoxy-4-isopropenyl-phenyl) ester; 4-nitrobenzoic acid Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(C=C(C=C1)OC(=O)C)OC(=O)C.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C1=C(C=C(C=C1)OC(=O)C)OC(=O)C.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14O4.C7H5NO4/c1-8(2)12-6-5-11(16-9(3)14)7-13(12)17-10(4)15;9-7(10)5-1-3-6(4-2-5)8(11)12/h5-7H,1H2,2-4H3;1-4H,(H,9,10)