[4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C27H25BrN4O5 MolecularWeight: 565.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25BrN4O5/c1-36-23-15-17(10-12-22(23)37-27(33)18-6-5-9-21(14-18)32(34)35)25-26(29-20-7-3-2-4-8-20)31-16-19(28)11-13-24(31)30-25/h5-6,9-16,20,29H,2-4,7-8H2,1H3