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

Systemtic Name: 2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate Openeye Name: 2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate CAS Name: 2-(1-benzotriazolylmethylamino)-5-nitrobenzoate IUPAC Name: 2-(benzotriazol-1-ylmethylamino)-5-nitrobenzoate Traditional Name: 2-(benzotriazol-1-ylmethylamino)-5-nitro-benzoate Formula: C14H10N5O4- MolecularWeight: 312.2603

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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)/p-1