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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)N)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)N)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C15H15ClN4O3/c16-12-5-1-4-11(14(12)19)15(22)23-10-13(21)20(8-2-6-17)9-3-7-18/h1,4-5H,2-3,8-10,19H2