[2-(methylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCO

Isomeric SMILES

CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCO

InChI

InChI=1S/C12H15N3O6/c1-13-11(17)7-21-12(18)9-6-8(15(19)20)2-3-10(9)14-4-5-16/h2-3,6,14,16H,4-5,7H2,1H3,(H,13,17)