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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-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-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5/c1-20(2)14-8-7-11(9-15(14)22(25)26)17(24)27-10-21-16(23)12-5-3-4-6-13(12)18-19-21/h3-9H,10H2,1-2H3