(2S)-2-(2-methanoyl-4-nitro-phenoxy)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(2-methanoyl-4-nitro-phenoxy)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(2-formyl-4-nitro-phenoxy)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-(2-formyl-4-nitrophenoxy)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(2-formyl-4-nitrophenoxy)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(2-formyl-4-nitro-phenoxy)-N-(4-methylbenzyl)propionamide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C18H18N2O5/c1-12-3-5-14(6-4-12)10-19-18(22)13(2)25-17-8-7-16(20(23)24)9-15(17)11-21/h3-9,11,13H,10H2,1-2H3,(H,19,22)/t13-/m0/s1