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

Systemtic Name: 4-azanyl-2-(4-methoxyphenyl)-8-nitro-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4-amino-1,5-dihydroxy-2-(4-methoxyphenyl)-8-nitro-anthracene-9,10-dione CAS Name: 4-amino-1,5-dihydroxy-2-(4-methoxyphenyl)-8-nitroanthracene-9,10-dione IUPAC Name: 4-amino-1,5-dihydroxy-2-(4-methoxyphenyl)-8-nitroanthracene-9,10-dione Traditional Name: 4-amino-1,5-dihydroxy-2-(4-methoxyphenyl)-8-nitro-9,10-anthraquinone Formula: C21H14N2O7 MolecularWeight: 406.34506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C21H14N2O7/c1-30-10-4-2-9(3-5-10)11-8-12(22)15-18(19(11)25)21(27)16-13(23(28)29)6-7-14(24)17(16)20(15)26/h2-8,24-25H,22H2,1H3