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

Systemtic Name: (2S)-2-[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetyl]amino]-N-propyl-propionamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25N3O6/c1-4-11-22-21(26)14(2)23-20(25)13-30-19-10-7-16(24(27)28)12-18(19)15-5-8-17(29-3)9-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1