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

Systemtic Name: methyl 4-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]-3-nitro-benzoate Openeye Name: methyl 4-[(4-acetyl-3-hydroxy-phenoxy)methyl]-3-nitro-benzoate CAS Name: 4-[(4-acetyl-3-hydroxyphenoxy)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(4-acetyl-3-hydroxyphenoxy)methyl]-3-nitrobenzoate Traditional Name: 4-[(4-acetyl-3-hydroxy-phenoxy)methyl]-3-nitro-benzoic acid methyl ester Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C17H15NO7/c1-10(19)14-6-5-13(8-16(14)20)25-9-12-4-3-11(17(21)24-2)7-15(12)18(22)23/h3-8,20H,9H2,1-2H3