benzotriazol-1-yl-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: benzotriazol-1-yl-(2-morpholino-5-nitro-phenyl)methanone CAS Name: 1-benzotriazolyl-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: benzotriazol-1-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(2-morpholino-5-nitro-phenyl)methanone Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H15N5O4/c23-17(21-16-4-2-1-3-14(16)18-19-21)13-11-12(22(24)25)5-6-15(13)20-7-9-26-10-8-20/h1-6,11H,7-10H2