2-(2,4-dinitro-1,3-diphenyl-butyl)-1-methyl-pyrrole

Systemtic Name: 2-(2,4-dinitro-1,3-diphenyl-butyl)-1-methyl-pyrrole Openeye Name: 2-(2,4-dinitro-1,3-diphenyl-butyl)-1-methyl-pyrrole CAS Name: 2-(2,4-dinitro-1,3-diphenylbutyl)-1-methylpyrrole IUPAC Name: 2-(2,4-dinitro-1,3-diphenylbutyl)-1-methylpyrrole Traditional Name: 2-(2,4-dinitro-1,3-diphenyl-butyl)-1-methyl-pyrrole Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=CC=C2)C(C(C[N+](=O)[O-])C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(C2=CC=CC=C2)C(C(C[N+](=O)[O-])C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-22-14-8-13-19(22)20(17-11-6-3-7-12-17)21(24(27)28)18(15-23(25)26)16-9-4-2-5-10-16/h2-14,18,20-21H,15H2,1H3