(2S)-2-[2-(4-chloranyl-2-nitro-phenoxy)ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-chloranyl-2-nitro-phenoxy)ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-chloro-2-nitro-phenoxy)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-(4-chloro-2-nitrophenoxy)-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-chloro-2-nitrophenoxy)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(4-chloro-2-nitro-phenoxy)acetyl]amino]-N-propyl-propionamide Formula: C14H18ClN3O5 MolecularWeight: 343.76282

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O5/c1-3-6-16-14(20)9(2)17-13(19)8-23-12-5-4-10(15)7-11(12)18(21)22/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,20)(H,17,19)/t9-/m0/s1