2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoic acid Openeye Name: 2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoic acid CAS Name: 2-(1-benzotriazolylmethylamino)-5-nitrobenzoic acid IUPAC Name: 2-(benzotriazol-1-ylmethylamino)-5-nitrobenzoic acid Traditional Name: 2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoic acid Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11N5O4/c20-14(21)10-7-9(19(22)23)5-6-11(10)15-8-18-13-4-2-1-3-12(13)16-17-18/h1-7,15H,8H2,(H,20,21)