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

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[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=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H25BrN4O4/c1-17-11-12-18(15-22(17)32(34)35)27(33)36-23-10-6-5-9-21(23)25-26(29-20-7-3-2-4-8-20)31-16-19(28)13-14-24(31)30-25/h5-6,9-16,20,29H,2-4,7-8H2,1H3