(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-10(14(19)17-5-7-23-8-6-17)24-15(20)11-3-4-12(16-2)13(9-11)18(21)22/h3-4,9-10,16H,5-8H2,1-2H3