(2S)-2-[(3-iodanyl-4-methyl-phenyl)amino]-N-(3-nitrophenyl)propanamide

Systemtic Name: (2S)-2-[(3-iodanyl-4-methyl-phenyl)amino]-N-(3-nitrophenyl)propanamide Openeye Name: (2S)-2-(3-iodo-4-methyl-anilino)-N-(3-nitrophenyl)propanamide CAS Name: (2S)-2-(3-iodo-4-methylanilino)-N-(3-nitrophenyl)propanamide IUPAC Name: (2S)-2-(3-iodo-4-methylanilino)-N-(3-nitrophenyl)propanamide Traditional Name: (2S)-2-(3-iodo-4-methyl-anilino)-N-(3-nitrophenyl)propionamide Formula: C16H16IN3O3 MolecularWeight: 425.22101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16IN3O3/c1-10-6-7-13(9-15(10)17)18-11(2)16(21)19-12-4-3-5-14(8-12)20(22)23/h3-9,11,18H,1-2H3,(H,19,21)/t11-/m0/s1