2-[1-(4-methylphenyl)-2,2-dinitro-ethyl]-1H-pyrrole

Systemtic Name: 2-[1-(4-methylphenyl)-2,2-dinitro-ethyl]-1H-pyrrole Openeye Name: 2-[2,2-dinitro-1-(p-tolyl)ethyl]-1H-pyrrole CAS Name: 2-[1-(4-methylphenyl)-2,2-dinitroethyl]-1H-pyrrole IUPAC Name: 2-[1-(4-methylphenyl)-2,2-dinitroethyl]-1H-pyrrole Traditional Name: 2-[2,2-dinitro-1-(p-tolyl)ethyl]-1H-pyrrole Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CN2)C([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CN2)C([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-9-4-6-10(7-5-9)12(11-3-2-8-14-11)13(15(17)18)16(19)20/h2-8,12-14H,1H3