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

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-(piperidine-1-carbonyl)propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(1-piperidinyl)butan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-2-methyl-1-(piperidine-1-carbonyl)propyl]-4-nitro-benzamide Formula: C17H22ClN3O4 MolecularWeight: 367.82728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCCC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H22ClN3O4/c1-11(2)15(17(23)20-8-4-3-5-9-20)19-16(22)13-7-6-12(21(24)25)10-14(13)18/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,19,22)/t15-/m0/s1