N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)benzyl]-4-morpholino-3-nitro-benzamide Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5/c30-24(19-9-10-21(22(15-19)29(31)32)28-11-13-33-14-12-28)26-16-17-5-7-18(8-6-17)25-27-20-3-1-2-4-23(20)34-25/h1-10,15H,11-14,16H2,(H,26,30)