[4-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[3-(tert-butylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4/c1-16-12-13-29-22(14-16)27-23(24(29)28-26(3,4)5)18-8-10-20(11-9-18)34-25(31)19-7-6-17(2)21(15-19)30(32)33/h6-15,28H,1-5H3