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

Systemtic Name: methyl 2-[4-[[cyclopropylcarbonyl-(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[cyclopropanecarbonyl-(4,6-dimethyl-3-nitro-2-pyridyl)amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[cyclopropyl(oxo)methyl]-(4,6-dimethyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[cyclopropanecarbonyl-(4,6-dimethyl-3-nitropyridin-2-yl)amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[cyclopropanecarbonyl-(4,6-dimethyl-3-nitro-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+](=O)[O-])N(CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)C4CC4)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+](=O)[O-])N(CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)C4CC4)C

InChI

InChI=1S/C26H25N3O5/c1-16-14-17(2)27-24(23(16)29(32)33)28(25(30)20-12-13-20)15-18-8-10-19(11-9-18)21-6-4-5-7-22(21)26(31)34-3/h4-11,14,20H,12-13,15H2,1-3H3