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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

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