2-[2,5-bis(4-methylphenyl)-3-nitro-pyrrol-1-yl]ethanol

Systemtic Name: 2-[2,5-bis(4-methylphenyl)-3-nitro-pyrrol-1-yl]ethanol Openeye Name: 2-[3-nitro-2,5-bis(p-tolyl)pyrrol-1-yl]ethanol CAS Name: 2-[2,5-bis(4-methylphenyl)-3-nitro-1-pyrrolyl]ethanol IUPAC Name: 2-[2,5-bis(4-methylphenyl)-3-nitropyrrol-1-yl]ethanol Traditional Name: 2-[3-nitro-2,5-bis(p-tolyl)pyrrol-1-yl]ethanol Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(N2CCO)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(N2CCO)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O3/c1-14-3-7-16(8-4-14)18-13-19(22(24)25)20(21(18)11-12-23)17-9-5-15(2)6-10-17/h3-10,13,23H,11-12H2,1-2H3