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

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate CAS Name: 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H23BrN4O4 MolecularWeight: 535.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23BrN4O4/c27-18-13-14-23-29-24(25(30(23)16-18)28-19-8-2-1-3-9-19)21-11-4-5-12-22(21)35-26(32)17-7-6-10-20(15-17)31(33)34/h4-7,10-16,19,28H,1-3,8-9H2