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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H20N4O4/c1-13-6-3-7-15(17(13)21-14(2)23)18(25)26-12-16(24)22(10-4-8-19)11-5-9-20/h3,6-7H,4-5,10-12H2,1-2H3,(H,21,23)