4-[[[(1S)-1-(4-chlorophenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[(1S)-1-(4-chlorophenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[[(1S)-1-(4-chlorophenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[[(1S)-1-(4-chlorophenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)Cl)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3/c1-11(2)17(12-5-7-15(19)8-6-12)21-10-14-4-3-13(18(20)23)9-16(14)22(24)25/h3-9,11,17,21H,10H2,1-2H3,(H2,20,23)/t17-/m0/s1