3-[butyl(phenyl)amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[butyl(phenyl)amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(N-butylanilino)-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(N-butylanilino)-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(N-butylanilino)-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(N-butylanilino)-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C2=C(C(=O)C2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C2=C(C(=O)C2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO2/c1-3-4-14-22(17-8-6-5-7-9-17)19-18(20(23)21(19)24)16-12-10-15(2)11-13-16/h5-13H,3-4,14H2,1-2H3