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

Systemtic Name: 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-nitro-benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-nitro-benzoic acid Formula: C19H19NO7 MolecularWeight: 373.35666

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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)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7/c1-3-4-15-17(8-7-14(11(2)21)18(15)22)27-10-13-6-5-12(19(23)24)9-16(13)20(25)26/h5-9,22H,3-4,10H2,1-2H3,(H,23,24)