[2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[[2-(ethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[[2-(ethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

Isomeric SMILES

CCNC(=O)CNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

InChI

InChI=1S/C17H20N4O4/c1-3-18-15(22)10-19-16(23)11-25-17(24)13-4-6-14(7-5-13)21-12(2)8-9-20-21/h4-9H,3,10-11H2,1-2H3,(H,18,22)(H,19,23)