(4-propanoylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-propanoylphenyl) 3,5-dinitrobenzoate Openeye Name: (4-propanoylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-propionylphenyl) ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O7/c1-2-15(19)10-3-5-14(6-4-10)25-16(20)11-7-12(17(21)22)9-13(8-11)18(23)24/h3-9H,2H2,1H3