3-(4-nitrophenoxy)-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 3-(4-nitrophenoxy)-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-benzyl-3-(4-nitrophenoxy)-3-oxo-propanoic acid CAS Name: 3-(4-nitrophenoxy)-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-benzyl-3-(4-nitrophenoxy)-3-oxopropanoic acid Traditional Name: 2-benzyl-3-keto-3-(4-nitrophenoxy)propionic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6/c18-15(19)14(10-11-4-2-1-3-5-11)16(20)23-13-8-6-12(7-9-13)17(21)22/h1-9,14H,10H2,(H,18,19)