3,5-dinitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: 3,5-dinitro-4-[(phenylmethyl)amino]benzoate Openeye Name: 4-(benzylamino)-3,5-dinitro-benzoate CAS Name: 3,5-dinitro-4-[(phenylmethyl)amino]benzoate IUPAC Name: 4-(benzylamino)-3,5-dinitrobenzoate Traditional Name: 4-(benzylamino)-3,5-dinitro-benzoate Formula: C14H10N3O6- MolecularWeight: 316.2457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c18-14(19)10-6-11(16(20)21)13(12(7-10)17(22)23)15-8-9-4-2-1-3-5-9/h1-7,15H,8H2,(H,18,19)/p-1