4-(4-nitrophenyl)-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: 4-(4-nitrophenyl)-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 2-benzyl-4-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 4-(4-nitrophenyl)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: 2-benzyl-4-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 2-benzyl-4-keto-4-(4-nitrophenyl)butyrate Formula: C17H14NO5- MolecularWeight: 312.29676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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