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

Systemtic Name: methyl 2-[4-[2-[(5-bromanyl-4-methyl-3-nitro-pyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(5-bromo-4-methyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(5-bromo-4-methyl-3-nitro-2-pyridinyl)amino]-oxomethyl]butyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(5-bromo-4-methyl-3-nitropyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(5-bromo-4-methyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoic acid methyl ester Formula: C25H24BrN3O5 MolecularWeight: 526.37916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=NC=C(C(=C3[N+](=O)[O-])C)Br

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=NC=C(C(=C3[N+](=O)[O-])C)Br

InChI

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