methyl 4-[(E)-2-acetyloxyprop-1-enyl]-6-methyl-3-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[(E)-2-acetyloxyprop-1-enyl]-6-methyl-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 4-[(E)-2-acetoxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitro-benzoate CAS Name: 4-[(E)-2-acetyloxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-acetyloxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitrobenzoate Traditional Name: 4-[(E)-2-acetoxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitro-benzoic acid methyl ester Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C(=C1)/C=C(\C)/OC(=O)C)[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C14H15NO7/c1-7-5-10(6-8(2)22-9(3)16)12(15(19)20)13(17)11(7)14(18)21-4/h5-6,17H,1-4H3/b8-6+