1-[(4-methylphenyl)amino]-4-[[4-(prop-2-enylperoxymethyl)phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1-[(4-methylphenyl)amino]-4-[[4-(prop-2-enylperoxymethyl)phenyl]amino]anthracene-9,10-dione Openeye Name: 1-[4-(allylperoxymethyl)anilino]-4-(4-methylanilino)anthracene-9,10-dione CAS Name: 1-(4-methylanilino)-4-[4-(prop-2-enyldioxymethyl)anilino]anthracene-9,10-dione IUPAC Name: 1-(4-methylanilino)-4-[4-(prop-2-enylperoxymethyl)anilino]anthracene-9,10-dione Traditional Name: 1-[4-(allylperoxymethyl)anilino]-4-(p-toluidino)-9,10-anthraquinone Formula: C31H26N2O4 MolecularWeight: 490.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)COOCC=C)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)COOCC=C)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C31H26N2O4/c1-3-18-36-37-19-21-10-14-23(15-11-21)33-27-17-16-26(32-22-12-8-20(2)9-13-22)28-29(27)31(35)25-7-5-4-6-24(25)30(28)34/h3-17,32-33H,1,18-19H2,2H3