4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-nitrophenyl)butanamide

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-nitrophenyl)butanamide Openeye Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(3-nitrophenyl)butanamide CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3-nitrophenyl)butanamide IUPAC Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3-nitrophenyl)butanamide Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(3-nitrophenyl)butyramide Formula: C18H18BrClN2O4 MolecularWeight: 441.70352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrClN2O4/c1-11-9-15(17(19)12(2)18(11)20)26-8-4-7-16(23)21-13-5-3-6-14(10-13)22(24)25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,23)