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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-9(13(15)18)23-14(19)10-2-3-11(12(8-10)17(20)21)16-4-6-22-7-5-16/h2-3,8-9H,4-7H2,1H3,(H2,15,18)