methyl 4-[[5-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[5-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]-2-furyl]methoxy]benzoate CAS Name: 4-[[5-[[2-(4-nitro-1-pyrazolyl)ethylamino]-oxomethyl]-2-furanyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate Traditional Name: 4-[[5-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]-2-furyl]methoxy]benzoic acid methyl ester Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7/c1-28-19(25)13-2-4-15(5-3-13)29-12-16-6-7-17(30-16)18(24)20-8-9-22-11-14(10-21-22)23(26)27/h2-7,10-11H,8-9,12H2,1H3,(H,20,24)