(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-azanyl-5-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-azanyl-5-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C13H15N3O6 MolecularWeight: 309.2747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H15N3O6/c14-11-2-1-9(16(19)20)7-10(11)13(18)22-8-12(17)15-3-5-21-6-4-15/h1-2,7H,3-6,8,14H2