2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 2-(4-morpholino-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]benzoate IUPAC Name: 2-(4-morpholin-4-yl-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-morpholino-3-nitro-benzoyl)benzoate Formula: C18H15N2O6- MolecularWeight: 355.3215

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c21-17(13-3-1-2-4-14(13)18(22)23)12-5-6-15(16(11-12)20(24)25)19-7-9-26-10-8-19/h1-6,11H,7-10H2,(H,22,23)/p-1