1-azanyl-2-bromanyl-4-[[4-(3,5-dimethylphenoxy)phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4-[[4-(3,5-dimethylphenoxy)phenyl]amino]anthracene-9,10-dione Openeye Name: 1-amino-2-bromo-4-[4-(3,5-dimethylphenoxy)anilino]anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4-[4-(3,5-dimethylphenoxy)anilino]anthracene-9,10-dione IUPAC Name: 1-amino-2-bromo-4-[4-(3,5-dimethylphenoxy)anilino]anthracene-9,10-dione Traditional Name: 1-amino-2-bromo-4-[4-(3,5-dimethylphenoxy)anilino]-9,10-anthraquinone Formula: C28H21BrN2O3 MolecularWeight: 513.38194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br)C

InChI

InChI=1S/C28H21BrN2O3/c1-15-11-16(2)13-19(12-15)34-18-9-7-17(8-10-18)31-23-14-22(29)26(30)25-24(23)27(32)20-5-3-4-6-21(20)28(25)33/h3-14,31H,30H2,1-2H3