benzotriazol-1-yl 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: benzotriazol-1-yl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: benzotriazol-1-yl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid benzotriazol-1-yl ester Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)ON3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)ON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H15N5O5/c23-17(27-21-16-4-2-1-3-14(16)18-19-21)13-11-12(5-6-15(13)22(24)25)20-7-9-26-10-8-20/h1-6,11H,7-10H2