methyl 3-[bis(2-cyanoethyl)carbamoylamino]benzoate

Systemtic Name: methyl 3-[bis(2-cyanoethyl)carbamoylamino]benzoate Openeye Name: methyl 3-[bis(2-cyanoethyl)carbamoylamino]benzoate CAS Name: 3-[[[bis(2-cyanoethyl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[bis(2-cyanoethyl)carbamoylamino]benzoate Traditional Name: 3-[bis(2-cyanoethyl)carbamoylamino]benzoic acid methyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C15H16N4O3/c1-22-14(20)12-5-2-6-13(11-12)18-15(21)19(9-3-7-16)10-4-8-17/h2,5-6,11H,3-4,9-10H2,1H3,(H,18,21)