methyl 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-nitro-benzoate Openeye Name: methyl 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-nitro-benzoate CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-nitrobenzoate Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-nitro-benzoic acid methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO7/c1-4-5-16-18(9-8-15(12(2)22)19(16)23)28-11-14-7-6-13(20(24)27-3)10-17(14)21(25)26/h6-10,23H,4-5,11H2,1-3H3