4-chloranyl-N-[(2S)-1-(dimethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-(dimethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-(dimethylcarbamoyl)-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-(dimethylcarbamoyl)-2-methyl-propyl]-3-nitro-benzamide Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O4/c1-8(2)12(14(20)17(3)4)16-13(19)9-5-6-10(15)11(7-9)18(21)22/h5-8,12H,1-4H3,(H,16,19)/t12-/m0/s1