2-oxidanylidenepropyl 4-methyl-3-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-methyl-3-nitro-benzoate Openeye Name: acetonyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid acetonyl ester Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-7-3-4-9(5-10(7)12(15)16)11(14)17-6-8(2)13/h3-5H,6H2,1-2H3