2-bromanyl-N-[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]hexadecanamide

Systemtic Name: 2-bromanyl-N-[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]hexadecanamide Openeye Name: N-[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-2-bromo-hexadecanamide CAS Name: 2-bromo-N-[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]hexadecanamide IUPAC Name: 2-bromo-N-[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]hexadecanamide Traditional Name: N-[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-2-bromo-palmitamide Formula: C31H43BrClN3O4 MolecularWeight: 637.04782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C31H43BrClN3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26(32)30(37)35-29(22-24-17-14-13-15-18-24)31(38)34-28-21-20-25(36(39)40)23-27(28)33/h13-15,17-18,20-21,23,26,29H,2-12,16,19,22H2,1H3,(H,34,38)(H,35,37)/t26?,29-/m0/s1