[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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