N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-chloranyl-4-nitro-phenoxy)ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-chloranyl-4-nitro-phenoxy)ethanamide Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(2-chloro-4-nitrophenoxy)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-chloro-4-nitrophenoxy)acetamide Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C13H16ClN3O5 MolecularWeight: 329.73624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O5/c1-3-8(2)15-13(19)16-12(18)7-22-11-5-4-9(17(20)21)6-10(11)14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,18,19)/t8-/m0/s1