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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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