ethyl 4-[bis(2-cyanoethyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[bis(2-cyanoethyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[bis(2-cyanoethyl)carbamoylamino]benzoate CAS Name: 4-[[[bis(2-cyanoethyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[bis(2-cyanoethyl)carbamoylamino]benzoate Traditional Name: 4-[bis(2-cyanoethyl)carbamoylamino]benzoic acid ethyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H18N4O3/c1-2-23-15(21)13-5-7-14(8-6-13)19-16(22)20(11-3-9-17)12-4-10-18/h5-8H,2-4,11-12H2,1H3,(H,19,22)