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

Systemtic Name: methyl 2-[4-[[2-[(5-bromanyl-4-methyl-3-nitro-pyridin-2-yl)carbamoyl]cyclopropyl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-[(5-bromo-4-methyl-3-nitro-2-pyridyl)carbamoyl]cyclopropyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-[[(5-bromo-4-methyl-3-nitro-2-pyridinyl)amino]-oxomethyl]cyclopropyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-[(5-bromo-4-methyl-3-nitropyridin-2-yl)carbamoyl]cyclopropyl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-[(5-bromo-4-methyl-3-nitro-2-pyridyl)carbamoyl]cyclopropyl]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)NC(=O)C2CC2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1Br)NC(=O)C2CC2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

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