[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxycarbonylamino)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxycarbonylamino)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(ethoxycarbonylamino)benzoate CAS Name: 3-(ethoxycarbonylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(ethoxycarbonylamino)benzoate Traditional Name: 3-(carbethoxyamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H20N4O5/c1-2-26-18(25)21-15-7-3-6-14(12-15)17(24)27-13-16(23)22(10-4-8-19)11-5-9-20/h3,6-7,12H,2,4-5,10-11,13H2,1H3,(H,21,25)