[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H16N4O6/c25-18(23-20(27)22-14-4-7-16-17(10-14)30-12-29-16)11-28-19(26)13-2-5-15(6-3-13)24-9-1-8-21-24/h1-10H,11-12H2,(H2,22,23,25,27)