[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C21H21N3O6/c1-3-28-17-10-9-16(11-18(17)29-4-2)23-21(27)24-19(25)13-30-20(26)15-7-5-14(12-22)6-8-15/h5-11H,3-4,13H2,1-2H3,(H2,23,24,25,27)