5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(4-nitrophenyl)methoxy]-5-oxo-pentanoic acid CAS Name: 5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid IUPAC Name: 5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid Traditional Name: 5-keto-5-(4-nitrobenzyl)oxy-valeric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6/c14-11(15)2-1-3-12(16)19-8-9-4-6-10(7-5-9)13(17)18/h4-7H,1-3,8H2,(H,14,15)