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

Systemtic Name: methyl 2-[4-[[6-(butanoylamino)-4-methyl-5-nitro-pyridin-3-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-(butanoylamino)-4-methyl-5-nitro-3-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-methyl-5-nitro-6-(1-oxobutylamino)-3-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-(butanoylamino)-4-methyl-5-nitropyridin-3-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(6-butyramido-4-methyl-5-nitro-3-pyridyl)methyl]phenyl]benzoic acid methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5/c1-4-7-22(29)27-24-23(28(31)32)16(2)19(15-26-24)14-17-10-12-18(13-11-17)20-8-5-6-9-21(20)25(30)33-3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,26,27,29)