[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5/c1-17(2)12-5-4-10(18(21)22)8-11(12)14(20)23-9-13(19)16-7-3-6-15/h4-5,8H,3,7,9H2,1-2H3,(H,16,19)