methyl 2-[5-bromanyl-1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]ethanoate Openeye Name: methyl 2-[5-bromo-1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]acetate CAS Name: 2-[5-bromo-1-(2-methyl-4-nitrophenyl)-3-pyrrolo[2,3-b]pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-1-(2-methyl-4-nitrophenyl)pyrrolo[2,3-b]pyridin-3-yl]acetate Traditional Name: 2-[5-bromo-1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid methyl ester Formula: C17H14BrN3O4 MolecularWeight: 404.21476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C3=CC(=CN=C32)Br)CC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C3=CC(=CN=C32)Br)CC(=O)OC

InChI

InChI=1S/C17H14BrN3O4/c1-10-5-13(21(23)24)3-4-15(10)20-9-11(6-16(22)25-2)14-7-12(18)8-19-17(14)20/h3-5,7-9H,6H2,1-2H3