methyl 2-[4-[2-[(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[2-[(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]pentyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(5-bromo-4,6-dimethyl-3-nitro-2-pyridinyl)amino]-oxomethyl]pentyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(5-bromo-4,6-dimethyl-3-nitropyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]pentyl]phenyl]benzoic acid methyl ester Formula: C27H28BrN3O5 MolecularWeight: 554.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O5/c1-5-8-20(26(32)30-25-24(31(34)35)16(2)23(28)17(3)29-25)15-18-11-13-19(14-12-18)21-9-6-7-10-22(21)27(33)36-4/h6-7,9-14,20H,5,8,15H2,1-4H3,(H,29,30,32)