N,N-diethyl-3-methyl-4-[(1R,2S)-2-nitro-1-oxidanyl-propyl]benzamide

Systemtic Name: N,N-diethyl-3-methyl-4-[(1R,2S)-2-nitro-1-oxidanyl-propyl]benzamide Openeye Name: N,N-diethyl-4-[(1R,2S)-1-hydroxy-2-nitro-propyl]-3-methyl-benzamide CAS Name: N,N-diethyl-4-[(1R,2S)-1-hydroxy-2-nitropropyl]-3-methylbenzamide IUPAC Name: N,N-diethyl-4-[(1R,2S)-1-hydroxy-2-nitropropyl]-3-methylbenzamide Traditional Name: N,N-diethyl-4-[(1R,2S)-1-hydroxy-2-nitro-propyl]-3-methyl-benzamide Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-5-16(6-2)15(19)12-7-8-13(10(3)9-12)14(18)11(4)17(20)21/h7-9,11,14,18H,5-6H2,1-4H3/t11-,14-/m0/s1