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

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)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-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

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