(4S)-4-(3,4-dimethoxyphenyl)-5-nitro-pentan-2-one

Systemtic Name: (4S)-4-(3,4-dimethoxyphenyl)-5-nitro-pentan-2-one Openeye Name: (4S)-4-(3,4-dimethoxyphenyl)-5-nitro-pentan-2-one CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-5-nitro-2-pentanone IUPAC Name: (4S)-4-(3,4-dimethoxyphenyl)-5-nitropentan-2-one Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-5-nitro-pentan-2-one Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(=O)C[C@H](C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C13H17NO5/c1-9(15)6-11(8-14(16)17)10-4-5-12(18-2)13(7-10)19-3/h4-5,7,11H,6,8H2,1-3H3/t11-/m1/s1