3-[(4-butoxyphenyl)amino]-4-[oxidanyl-(phenylmethyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(4-butoxyphenyl)amino]-4-[oxidanyl-(phenylmethyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[benzyl(hydroxy)amino]-4-(4-butoxyanilino)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-butoxyanilino)-4-[hydroxy-(phenylmethyl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[benzyl(hydroxy)amino]-4-(4-butoxyanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[benzyl(hydroxy)amino]-4-(4-butoxyanilino)cyclobut-3-ene-1,2-quinone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=O)C2=O)N(CC3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=O)C2=O)N(CC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O4/c1-2-3-13-27-17-11-9-16(10-12-17)22-18-19(21(25)20(18)24)23(26)14-15-7-5-4-6-8-15/h4-12,22,26H,2-3,13-14H2,1H3