2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynyl-pyrrole

Systemtic Name: 2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynyl-pyrrole Openeye Name: 3-nitro-1-prop-2-ynyl-2,5-bis(p-tolyl)pyrrole CAS Name: 2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynylpyrrole IUPAC Name: 2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynylpyrrole Traditional Name: 3-nitro-1-propargyl-2,5-bis(p-tolyl)pyrrole Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(N2CC#C)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(N2CC#C)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O2/c1-4-13-22-19(17-9-5-15(2)6-10-17)14-20(23(24)25)21(22)18-11-7-16(3)8-12-18/h1,5-12,14H,13H2,2-3H3