4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxo-butanoic acid CAS Name: 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoic acid Traditional Name: 4-[3,5-dimethyl-4-(4-nitrobenzyl)oxy-phenyl]-4-keto-butyric acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)O

InChI

InChI=1S/C19H19NO6/c1-12-9-15(17(21)7-8-18(22)23)10-13(2)19(12)26-11-14-3-5-16(6-4-14)20(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)