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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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