2-chloranyl-5-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-5-nitro-benzamide CAS Name: 2-chloro-5-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 2-chloro-5-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-5-nitro-benzamide Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4/c1-3-6-15-12(18)8(2)16-13(19)10-7-9(17(20)21)4-5-11(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,19)/t8-/m0/s1