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

Systemtic Name: (4-propanoylphenyl) 3-methyl-2-nitro-benzoate Openeye Name: (4-propanoylphenyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-propionylphenyl) ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-3-15(19)12-7-9-13(10-8-12)23-17(20)14-6-4-5-11(2)16(14)18(21)22/h4-10H,3H2,1-2H3