1-azanyl-2-bromanyl-4,5-bis(oxidanyl)-8-[(phenylmethyl)amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4,5-bis(oxidanyl)-8-[(phenylmethyl)amino]anthracene-9,10-dione Openeye Name: 1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]anthracene-9,10-dione IUPAC Name: 1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxyanthracene-9,10-dione Traditional Name: 1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxy-9,10-anthraquinone Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C(=C(C=C4O)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C(=C(C=C4O)Br)N

InChI

InChI=1S/C21H15BrN2O4/c22-11-8-14(26)17-18(19(11)23)20(27)15-12(6-7-13(25)16(15)21(17)28)24-9-10-4-2-1-3-5-10/h1-8,24-26H,9,23H2