(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (8-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-15-6-5-11-24-13-17(22-20(15)24)14-29-21(26)16-7-8-18(19(12-16)25(27)28)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10,14H2,1H3