methyl 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxo-butanoate CAS Name: 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoate Traditional Name: 4-[3,5-dimethyl-4-(4-nitrobenzyl)oxy-phenyl]-4-keto-butyric acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-13-10-16(18(22)8-9-19(23)26-3)11-14(2)20(13)27-12-15-4-6-17(7-5-15)21(24)25/h4-7,10-11H,8-9,12H2,1-3H3