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

Systemtic Name: 3-butyl-4-[(3-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-butyl-4-(m-tolylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-butyl-4-[(3-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-butyl-4-[(3-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-butyl-4-[(3-methylbenzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C1=O)NCC2=CC=CC(=C2)C

Isomeric SMILES

CCCCC1=C(C(=O)C1=O)NCC2=CC=CC(=C2)C

InChI

InChI=1S/C16H19NO2/c1-3-4-8-13-14(16(19)15(13)18)17-10-12-7-5-6-11(2)9-12/h5-7,9,17H,3-4,8,10H2,1-2H3