(2S)-N-(2,6-dimethylphenyl)-2-(4-methanoyl-2-nitro-phenoxy)propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-methanoyl-2-nitro-phenoxy)propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-formyl-2-nitro-phenoxy)propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-formyl-2-nitro-phenoxy)propionamide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-11-5-4-6-12(2)17(11)19-18(22)13(3)25-16-8-7-14(10-21)9-15(16)20(23)24/h4-10,13H,1-3H3,(H,19,22)/t13-/m0/s1