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

Systemtic Name: methyl 2-[4-[[(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)-cyclopropylcarbonyl-amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[(5-bromo-4,6-dimethyl-3-nitro-2-pyridinyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(5-bromo-4,6-dimethyl-3-nitropyridin-2-yl)-(cyclopropanecarbonyl)amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C26H24BrN3O5 MolecularWeight: 538.38986

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H24BrN3O5/c1-15-22(27)16(2)28-24(23(15)30(33)34)29(25(31)19-12-13-19)14-17-8-10-18(11-9-17)20-6-4-5-7-21(20)26(32)35-3/h4-11,19H,12-14H2,1-3H3