methyl 4-nitro-3-propanoyl-benzoate

Systemtic Name: methyl 4-nitro-3-propanoyl-benzoate Openeye Name: methyl 4-nitro-3-propanoyl-benzoate CAS Name: 4-nitro-3-(1-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 4-nitro-3-propanoylbenzoate Traditional Name: 4-nitro-3-propionyl-benzoic acid methyl ester Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-3-10(13)8-6-7(11(14)17-2)4-5-9(8)12(15)16/h4-6H,3H2,1-2H3