1,5-bis(azanyl)-2-bromanyl-7-(4-methoxyphenyl)-4,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,5-bis(azanyl)-2-bromanyl-7-(4-methoxyphenyl)-4,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,5-diamino-2-bromo-4,8-dihydroxy-7-(4-methoxyphenyl)anthracene-9,10-dione CAS Name: 1,5-diamino-2-bromo-4,8-dihydroxy-7-(4-methoxyphenyl)anthracene-9,10-dione IUPAC Name: 1,5-diamino-2-bromo-4,8-dihydroxy-7-(4-methoxyphenyl)anthracene-9,10-dione Traditional Name: 1,5-diamino-2-bromo-4,8-dihydroxy-7-(4-methoxyphenyl)-9,10-anthraquinone Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC(=C4N)Br)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC(=C4N)Br)O)N

InChI

InChI=1S/C21H15BrN2O5/c1-29-9-4-2-8(3-5-9)10-6-12(23)14-17(19(10)26)21(28)16-15(20(14)27)13(25)7-11(22)18(16)24/h2-7,25-26H,23-24H2,1H3