[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5/c1-2-12-3-5-13(6-4-12)16(19)11-23-17(20)14-7-9-15(10-8-14)18(21)22/h3-10H,2,11H2,1H3