(6-bromanylnaphthalen-2-yl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (6-bromo-2-naphthyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (6-bromo-2-naphthyl) ester Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN2O5/c22-17-4-1-15-12-18(5-2-14(15)11-17)29-21(25)16-3-6-19(20(13-16)24(26)27)23-7-9-28-10-8-23/h1-6,11-13H,7-10H2