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

Systemtic Name: methyl 2-[4-[[3-bromanyl-6-(butanoylamino)-4-methyl-5-nitro-pyridin-2-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[3-bromo-6-(butanoylamino)-4-methyl-5-nitro-2-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-bromo-4-methyl-5-nitro-6-(1-oxobutylamino)-2-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-bromo-6-(butanoylamino)-4-methyl-5-nitropyridin-2-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-bromo-6-butyramido-4-methyl-5-nitro-2-pyridyl)methyl]phenyl]benzoic acid methyl ester Formula: C25H24BrN3O5 MolecularWeight: 526.37916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/C25H24BrN3O5/c1-4-7-21(30)28-24-23(29(32)33)15(2)22(26)20(27-24)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)25(31)34-3/h5-6,8-13H,4,7,14H2,1-3H3,(H,27,28,30)