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

Systemtic Name: methyl 2-[4-[[cyclopropylcarbonyl-(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[cyclopropanecarbonyl-(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[cyclopropyl(oxo)methyl]-(4-methyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[cyclopropanecarbonyl-(4-methyl-3-nitropyridin-2-yl)amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[cyclopropanecarbonyl-(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5/c1-16-13-14-26-23(22(16)28(31)32)27(24(29)19-11-12-19)15-17-7-9-18(10-8-17)20-5-3-4-6-21(20)25(30)33-2/h3-10,13-14,19H,11-12,15H2,1-2H3