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

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-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-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-16-7-6-12-25-14-18(23-21(16)25)15-30-22(27)17-8-9-19(20(13-17)26(28)29)24-10-4-2-3-5-11-24/h6-9,12-14H,2-5,10-11,15H2,1H3