imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4/c1-17-13-6-5-11(8-14(13)20(22)23)16(21)24-10-12-9-19-7-3-2-4-15(19)18-12/h2-9,17H,10H2,1H3