methyl 3-[3-(5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[3-(5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]-5-nitro-benzoate Openeye Name: methyl 3-[3-(2-hydroxy-5-methyl-phenyl)-3-oxo-propanoyl]-5-nitro-benzoate CAS Name: 3-[3-(2-hydroxy-5-methylphenyl)-1,3-dioxopropyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-hydroxy-5-methylphenyl)-3-oxopropanoyl]-5-nitrobenzoate Traditional Name: 3-[3-(2-hydroxy-5-methyl-phenyl)-3-keto-propanoyl]-5-nitro-benzoic acid methyl ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H15NO7/c1-10-3-4-15(20)14(5-10)17(22)9-16(21)11-6-12(18(23)26-2)8-13(7-11)19(24)25/h3-8,20H,9H2,1-2H3