methyl 2-[4-[[3-bromanyl-2,4-dimethyl-5-nitro-6-(pentanoylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[3-bromanyl-2,4-dimethyl-5-nitro-6-(pentanoylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[3-bromo-2,4-dimethyl-5-nitro-6-(pentanoylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-bromo-2,4-dimethyl-5-nitro-6-(1-oxopentylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-bromo-2,4-dimethyl-5-nitro-6-(pentanoylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[3-bromo-2,4-dimethyl-5-nitro-6-(valerylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C27H30BrN3O5 MolecularWeight: 556.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C27H30BrN3O5/c1-5-6-11-23(32)29-26-25(31(34)35)17(2)24(28)18(3)30(26)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)27(33)36-4/h7-10,12-15,18H,5-6,11,16H2,1-4H3,(H,29,32)