imidazo[1,2-a]pyridin-2-ylmethyl 3-methyl-4-nitro-benzoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 3-methyl-4-nitro-benzoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CN3C=CC=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CN3C=CC=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-11-8-12(5-6-14(11)19(21)22)16(20)23-10-13-9-18-7-3-2-4-15(18)17-13/h2-9H,10H2,1H3