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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C)C

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C)C

InChI

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