2-(4-nitrophenyl)carbonyl-4-phenyl-butanoate

Systemtic Name: 2-(4-nitrophenyl)carbonyl-4-phenyl-butanoate Openeye Name: 2-(4-nitrobenzoyl)-4-phenyl-butanoate CAS Name: 2-[(4-nitrophenyl)-oxomethyl]-4-phenylbutanoate IUPAC Name: 2-(4-nitrobenzoyl)-4-phenylbutanoate Traditional Name: 2-(4-nitrobenzoyl)-4-phenyl-butyrate Formula: C17H14NO5- MolecularWeight: 312.29676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c19-16(13-7-9-14(10-8-13)18(22)23)15(17(20)21)11-6-12-4-2-1-3-5-12/h1-5,7-10,15H,6,11H2,(H,20,21)/p-1