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

Systemtic Name: N-[2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-2-keto-ethyl]-3-nitro-benzamide Formula: C19H20BrN3O6 MolecularWeight: 466.2826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O6/c1-28-16-9-12(15(20)10-17(16)29-2)6-7-21-18(24)11-22-19(25)13-4-3-5-14(8-13)23(26)27/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,24)(H,22,25)