2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoic acid Openeye Name: 2-(4-morpholino-3-nitro-benzoyl)benzoic acid CAS Name: 2-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(4-morpholin-4-yl-3-nitrobenzoyl)benzoic acid Traditional Name: 2-(4-morpholino-3-nitro-benzoyl)benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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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)