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

Systemtic Name: methyl 2-[4-[[3-bromanyl-6-(butanoylamino)-2,4-dimethyl-5-nitro-2H-pyridin-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[3-bromo-6-(butanoylamino)-2,4-dimethyl-5-nitro-2H-pyridin-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-bromo-2,4-dimethyl-5-nitro-6-(1-oxobutylamino)-2H-pyridin-1-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-bromo-6-(butanoylamino)-2,4-dimethyl-5-nitro-2H-pyridin-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-bromo-6-butyramido-2,4-dimethyl-5-nitro-2H-pyridin-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C26H28BrN3O5 MolecularWeight: 542.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C26H28BrN3O5/c1-5-8-22(31)28-25-24(30(33)34)16(2)23(27)17(3)29(25)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26(32)35-4/h6-7,9-14,17H,5,8,15H2,1-4H3,(H,28,31)