[4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate Openeye Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-18-14-15-30-24(16-18)29-25(26(30)28-21-7-3-2-4-8-21)19-10-12-23(13-11-19)35-27(32)20-6-5-9-22(17-20)31(33)34/h5-6,9-17,21,28H,2-4,7-8H2,1H3