methyl 2-[5-[(6-bromanylquinolin-2-yl)-methyl-amino]-2-nitro-phenoxy]propanoate

Systemtic Name: methyl 2-[5-[(6-bromanylquinolin-2-yl)-methyl-amino]-2-nitro-phenoxy]propanoate Openeye Name: methyl 2-[5-[(6-bromo-2-quinolyl)-methyl-amino]-2-nitro-phenoxy]propanoate CAS Name: 2-[5-[(6-bromo-2-quinolinyl)-methylamino]-2-nitrophenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[5-[(6-bromoquinolin-2-yl)-methylamino]-2-nitrophenoxy]propanoate Traditional Name: 2-[5-[(6-bromo-2-quinolyl)-methyl-amino]-2-nitro-phenoxy]propionic acid methyl ester Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=CC(=C1)N(C)C2=NC3=C(C=C2)C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=CC(=C1)N(C)C2=NC3=C(C=C2)C=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O5/c1-12(20(25)28-3)29-18-11-15(6-8-17(18)24(26)27)23(2)19-9-4-13-10-14(21)5-7-16(13)22-19/h4-12H,1-3H3