4-bromanyl-N-[2-(2,4-dimethylphenoxy)ethyl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[2-(2,4-dimethylphenoxy)ethyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-3-nitro-benzamide Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C

InChI

InChI=1S/C17H17BrN2O4/c1-11-3-6-16(12(2)9-11)24-8-7-19-17(21)13-4-5-14(18)15(10-13)20(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)