(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O6/c25-18-14-3-1-2-4-15(14)20-21-23(18)12-30-19(26)13-5-6-16(17(11-13)24(27)28)22-7-9-29-10-8-22/h1-6,11H,7-10,12H2