2-(benzotriazol-1-ylcarbonyl)-3-nitro-benzoic acid

Systemtic Name: 2-(benzotriazol-1-ylcarbonyl)-3-nitro-benzoic acid Openeye Name: 2-(benzotriazole-1-carbonyl)-3-nitro-benzoic acid CAS Name: 2-[1-benzotriazolyl(oxo)methyl]-3-nitrobenzoic acid IUPAC Name: 2-(benzotriazole-1-carbonyl)-3-nitrobenzoic acid Traditional Name: 2-(benzotriazole-1-carbonyl)-3-nitro-benzoic acid Formula: C14H8N4O5 MolecularWeight: 312.23712

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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)