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2-(benzotriazol-1-ylcarbonyl)-3-nitro-benzoate

2-(benzotriazol-1-ylcarbonyl)-3-nitro-benzoate

Systemtic Name:2-(benzotriazol-1-ylcarbonyl)-3-nitro-benzoate
Openeye Name:2-(benzotriazole-1-carbonyl)-3-nitro-benzoate
CAS Name:2-[1-benzotriazolyl(oxo)methyl]-3-nitrobenzoate
IUPAC Name:2-(benzotriazole-1-carbonyl)-3-nitrobenzoate
Traditional Name:2-(benzotriazole-1-carbonyl)-3-nitro-benzoate
Formula: C14H7N4O5-
MolecularWeight: 311.22918
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)[O-]


InChI

InChI=1S/C14H8N4O5/c19-13(17-10-6-2-1-5-9(10)15-16-17)12-8(14(20)21)4-3-7-11(12)18(22)23/h1-7H,(H,20,21)/p-1


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