N-[(2-chloranyl-5-nitro-phenyl)methyl]-N,3-dimethyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N,3-dimethyl-2-(2-phenylethanoylamino)butanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N,3-dimethyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N,3-dimethyl-2-[(2-phenylacetyl)amino]butyramide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)N(C)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24ClN3O4/c1-14(2)20(23-19(26)11-15-7-5-4-6-8-15)21(27)24(3)13-16-12-17(25(28)29)9-10-18(16)22/h4-10,12,14,20H,11,13H2,1-3H3,(H,23,26)