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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2Br)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2Br)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN3O5/c1-20-14-5-4-12(8-15(14)22(24)25)18(23)21-7-6-11-9-16(26-2)17(27-3)10-13(11)19/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,23)