methyl 5-nitro-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]benzoate

Systemtic Name: methyl 5-nitro-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]benzoate Openeye Name: methyl 5-nitro-2-[[1-(tetrahydrofuran-2-ylmethyl)pyrazol-4-yl]amino]benzoate CAS Name: 5-nitro-2-[[1-(2-oxolanylmethyl)-4-pyrazolyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]benzoate Traditional Name: 5-nitro-2-[[1-(tetrahydrofurfuryl)pyrazol-4-yl]amino]benzoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CN(N=C2)CC3CCCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CN(N=C2)CC3CCCO3

InChI

InChI=1S/C16H18N4O5/c1-24-16(21)14-7-12(20(22)23)4-5-15(14)18-11-8-17-19(9-11)10-13-3-2-6-25-13/h4-5,7-9,13,18H,2-3,6,10H2,1H3