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

Systemtic Name: methyl 2-[4-[[3-bromanyl-4-methyl-5-nitro-6-(pentanoylamino)pyridin-2-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[3-bromo-4-methyl-5-nitro-6-(pentanoylamino)-2-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-bromo-4-methyl-5-nitro-6-(1-oxopentylamino)-2-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-bromo-4-methyl-5-nitro-6-(pentanoylamino)pyridin-2-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[3-bromo-4-methyl-5-nitro-6-(valerylamino)-2-pyridyl]methyl]phenyl]benzoic acid methyl ester Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC(=C(C(=C1[N+](=O)[O-])C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=NC(=C(C(=C1[N+](=O)[O-])C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H26BrN3O5/c1-4-5-10-22(31)29-25-24(30(33)34)16(2)23(27)21(28-25)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)26(32)35-3/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,28,29,31)