1-azanyl-2-(3,4-dimethylphenoxy)-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(3,4-dimethylphenoxy)-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-(3,4-dimethylphenoxy)-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-(3,4-dimethylphenoxy)-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-(3,4-dimethylphenoxy)-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-(3,4-dimethylphenoxy)-4-hydroxy-9,10-anthraquinone Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)C

InChI

InChI=1S/C22H17NO4/c1-11-7-8-13(9-12(11)2)27-17-10-16(24)18-19(20(17)23)22(26)15-6-4-3-5-14(15)21(18)25/h3-10,24H,23H2,1-2H3