(4-propanoylphenyl) 2-nitrobenzoate

Systemtic Name: (4-propanoylphenyl) 2-nitrobenzoate Openeye Name: (4-propanoylphenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-propionylphenyl) ester Formula: C16H13NO5 MolecularWeight: 299.27812

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5/c1-2-15(18)11-7-9-12(10-8-11)22-16(19)13-5-3-4-6-14(13)17(20)21/h3-10H,2H2,1H3