[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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