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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c26-19-15-6-2-3-7-16(15)21-22-24(19)13-30-20(27)14-8-9-17(18(12-14)25(28)29)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2