[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H10ClN3O5 MolecularWeight: 311.6779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H10ClN3O5/c13-8-2-3-9(10(6-8)16(19)20)12(18)21-7-11(17)15-5-1-4-14/h2-3,6H,1,5,7H2,(H,15,17)