3-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate

Systemtic Name: 3-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate Openeye Name: 3-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate CAS Name: 3-(1-benzotriazolylmethylamino)-5-nitrobenzoate IUPAC Name: 3-(benzotriazol-1-ylmethylamino)-5-nitrobenzoate Traditional Name: 3-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate Formula: C14H10N5O4- MolecularWeight: 312.2603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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