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

Systemtic Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (6-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (6-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C=C(N=C2C=C1)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN2C=C(N=C2C=C1)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-14-4-7-19-21-16(12-23(19)11-14)13-28-20(25)15-5-6-17(18(10-15)24(26)27)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3