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

Systemtic Name: methyl 2-[4-[[6-(butanoylamino)-2,4-dimethyl-5-nitro-pyridin-3-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-(butanoylamino)-2,4-dimethyl-5-nitro-3-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2,4-dimethyl-5-nitro-6-(1-oxobutylamino)-3-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-(butanoylamino)-2,4-dimethyl-5-nitropyridin-3-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(6-butyramido-2,4-dimethyl-5-nitro-3-pyridyl)methyl]phenyl]benzoic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(C(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(C(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)[N+](=O)[O-]

InChI

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