(2S)-2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-N-propyl-propionamide Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-4-7-16-15(20)11(3)17-14(19)9-23-12-5-6-13(18(21)22)10(2)8-12/h5-6,8,11H,4,7,9H2,1-3H3,(H,16,20)(H,17,19)/t11-/m0/s1