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

Systemtic Name: methyl 2-[4-[[(5-bromanyl-4-methyl-3-nitro-pyridin-2-yl)-cyclopropylcarbonyl-amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[(5-bromo-4-methyl-3-nitro-2-pyridyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[(5-bromo-4-methyl-3-nitro-2-pyridinyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(5-bromo-4-methyl-3-nitropyridin-2-yl)-(cyclopropanecarbonyl)amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[(5-bromo-4-methyl-3-nitro-2-pyridyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C25H22BrN3O5 MolecularWeight: 524.36328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Br)N(CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1Br)N(CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C25H22BrN3O5/c1-15-21(26)13-27-23(22(15)29(32)33)28(24(30)18-11-12-18)14-16-7-9-17(10-8-16)19-5-3-4-6-20(19)25(31)34-2/h3-10,13,18H,11-12,14H2,1-2H3