[4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H25BrN4O4 MolecularWeight: 549.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H25BrN4O4/c1-17-7-8-19(15-23(17)32(34)35)27(33)36-22-12-9-18(10-13-22)25-26(29-21-5-3-2-4-6-21)31-16-20(28)11-14-24(31)30-25/h7-16,21,29H,2-6H2,1H3