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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-methoxy-3-nitro-benzamide Formula: C18H19BrN2O6 MolecularWeight: 439.25726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2Br)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2Br)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN2O6/c1-25-15-5-4-12(8-14(15)21(23)24)18(22)20-7-6-11-9-16(26-2)17(27-3)10-13(11)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)