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

Systemtic Name: 2-oxidanylidenepropyl 2-methyl-3-nitro-benzoate Openeye Name: acetonyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-methyl-3-nitrobenzoate Traditional Name: 2-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=CC=C1[N+](=O)[O-])C(=O)OCC(=O)C

Isomeric SMILES

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

InChI

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