2-[(4-tert-butyl-2,6-dinitro-phenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

Systemtic Name: 2-[(4-tert-butyl-2,6-dinitro-phenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole Openeye Name: 2-[(4-tert-butyl-2,6-dinitro-phenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole CAS Name: 2-[(4-tert-butyl-2,6-dinitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole IUPAC Name: 2-[(4-tert-butyl-2,6-dinitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole Traditional Name: 2-[(4-tert-butyl-2,6-dinitro-phenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])C(C2=CC=CN2)C3=CC=CN3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])C(C2=CC=CN2)C3=CC=CN3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4/c1-19(2,3)12-10-15(22(24)25)18(16(11-12)23(26)27)17(13-6-4-8-20-13)14-7-5-9-21-14/h4-11,17,20-21H,1-3H3