(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6/c20-15(18-5-7-24-8-6-18)10-25-16(21)11-1-4-13(17-12-2-3-12)14(9-11)19(22)23/h1,4,9,12,17H,2-3,5-8,10H2