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

Systemtic Name: 3-(hexylamino)-4-[oxidanyl-(phenylmethyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[benzyl(hydroxy)amino]-4-(hexylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(hexylamino)-4-[hydroxy-(phenylmethyl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[benzyl(hydroxy)amino]-4-(hexylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[benzyl(hydroxy)amino]-4-(hexylamino)cyclobut-3-ene-1,2-quinone Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=O)C1=O)N(CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCNC1=C(C(=O)C1=O)N(CC2=CC=CC=C2)O

InChI

InChI=1S/C17H22N2O3/c1-2-3-4-8-11-18-14-15(17(21)16(14)20)19(22)12-13-9-6-5-7-10-13/h5-7,9-10,18,22H,2-4,8,11-12H2,1H3