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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-13-11(16)7-20-12(17)9-6-8(15(18)19)4-5-10(9)14(2)3/h4-6H,7H2,1-3H3,(H,13,16)