5-chloranyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-nitro-benzamide Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3/c1-10-4-5-13(8-11(10)2)12(3)19-17(21)15-9-14(18)6-7-16(15)20(22)23/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1