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

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(piperidin-1-ylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-(1-piperidylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-(1-piperidinylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-(piperidin-1-ylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(piperidinocarbamoyl)propyl]-3-nitro-benzamide Formula: C17H23ClN4O4 MolecularWeight: 382.84192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1CCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1CCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H23ClN4O4/c1-11(2)15(17(24)20-21-8-4-3-5-9-21)19-16(23)12-6-7-13(18)14(10-12)22(25)26/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,24)/t15-/m0/s1