2,5-bis[1-(4-methylphenyl)-2-nitro-ethyl]-1H-pyrrole

Systemtic Name: 2,5-bis[1-(4-methylphenyl)-2-nitro-ethyl]-1H-pyrrole Openeye Name: 2,5-bis[2-nitro-1-(p-tolyl)ethyl]-1H-pyrrole CAS Name: 2,5-bis[1-(4-methylphenyl)-2-nitroethyl]-1H-pyrrole IUPAC Name: 2,5-bis[1-(4-methylphenyl)-2-nitroethyl]-1H-pyrrole Traditional Name: 2,5-bis[2-nitro-1-(p-tolyl)ethyl]-1H-pyrrole Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CC=C(N2)C(C[N+](=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CC=C(N2)C(C[N+](=O)[O-])C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O4/c1-15-3-7-17(8-4-15)19(13-24(26)27)21-11-12-22(23-21)20(14-25(28)29)18-9-5-16(2)6-10-18/h3-12,19-20,23H,13-14H2,1-2H3