(2S)-1-(3,4-dimethylphenyl)-2-(3-nitrophenoxy)propan-1-one

Systemtic Name: (2S)-1-(3,4-dimethylphenyl)-2-(3-nitrophenoxy)propan-1-one Openeye Name: (2S)-1-(3,4-dimethylphenyl)-2-(3-nitrophenoxy)propan-1-one CAS Name: (2S)-1-(3,4-dimethylphenyl)-2-(3-nitrophenoxy)-1-propanone IUPAC Name: (2S)-1-(3,4-dimethylphenyl)-2-(3-nitrophenoxy)propan-1-one Traditional Name: (2S)-1-(3,4-dimethylphenyl)-2-(3-nitrophenoxy)propan-1-one Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO4/c1-11-7-8-14(9-12(11)2)17(19)13(3)22-16-6-4-5-15(10-16)18(20)21/h4-10,13H,1-3H3/t13-/m0/s1