4-(4-nitro-3-phenylmethoxy-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-nitro-3-phenylmethoxy-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-benzyloxy-4-nitro-phenyl)-4-oxo-butanoic acid CAS Name: 4-(4-nitro-3-phenylmethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-nitro-3-phenylmethoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-(3-benzoxy-4-nitro-phenyl)-4-keto-butyric acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6/c19-15(8-9-17(20)21)13-6-7-14(18(22)23)16(10-13)24-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,21)