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

Systemtic Name: methyl 2-[4-[[4-methyl-5-nitro-6-(pentanoylamino)pyridin-3-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-methyl-5-nitro-6-(pentanoylamino)-3-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-methyl-5-nitro-6-(1-oxopentylamino)-3-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-methyl-5-nitro-6-(pentanoylamino)pyridin-3-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-methyl-5-nitro-6-(valerylamino)-3-pyridyl]methyl]phenyl]benzoic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5/c1-4-5-10-23(30)28-25-24(29(32)33)17(2)20(16-27-25)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)26(31)34-3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,27,28,30)