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

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (8-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-14-3-2-6-23-12-16(21-19(14)23)13-29-20(25)15-4-5-17(18(11-15)24(26)27)22-7-9-28-10-8-22/h2-6,11-12H,7-10,13H2,1H3