2,5-bis(2-nitro-1-phenyl-ethyl)-1H-pyrrole

Systemtic Name: 2,5-bis(2-nitro-1-phenyl-ethyl)-1H-pyrrole Openeye Name: 2,5-bis(2-nitro-1-phenyl-ethyl)-1H-pyrrole CAS Name: 2,5-bis(2-nitro-1-phenylethyl)-1H-pyrrole IUPAC Name: 2,5-bis(2-nitro-1-phenylethyl)-1H-pyrrole Traditional Name: 2,5-bis(2-nitro-1-phenyl-ethyl)-1H-pyrrole Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CC=C(N2)C(C[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CC=C(N2)C(C[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c24-22(25)13-17(15-7-3-1-4-8-15)19-11-12-20(21-19)18(14-23(26)27)16-9-5-2-6-10-16/h1-12,17-18,21H,13-14H2