N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-chloro-3-nitro-benzamide Formula: C17H16BrClN2O5 MolecularWeight: 443.67634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C17H16BrClN2O5/c1-25-15-8-10(12(18)9-16(15)26-2)5-6-20-17(22)11-3-4-13(19)14(7-11)21(23)24/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)