butyl 2-[bis(2-cyanoethyl)carbamoylamino]benzoate

Systemtic Name: butyl 2-[bis(2-cyanoethyl)carbamoylamino]benzoate Openeye Name: butyl 2-[bis(2-cyanoethyl)carbamoylamino]benzoate CAS Name: 2-[[[bis(2-cyanoethyl)amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[bis(2-cyanoethyl)carbamoylamino]benzoate Traditional Name: 2-[bis(2-cyanoethyl)carbamoylamino]benzoic acid butyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H22N4O3/c1-2-3-14-25-17(23)15-8-4-5-9-16(15)21-18(24)22(12-6-10-19)13-7-11-20/h4-5,8-9H,2-3,6-7,12-14H2,1H3,(H,21,24)