(4aS,9aS)-6-nitro-4,5-bis(oxidanyl)-1-phenylazanyl-4a,9a-dihydroanthracene-9,10-dione

Systemtic Name: (4aS,9aS)-6-nitro-4,5-bis(oxidanyl)-1-phenylazanyl-4a,9a-dihydroanthracene-9,10-dione Openeye Name: (4aS,9aS)-1-anilino-4,5-dihydroxy-6-nitro-4a,9a-dihydroanthracene-9,10-dione CAS Name: (4aS,9aS)-1-anilino-4,5-dihydroxy-6-nitro-4a,9a-dihydroanthracene-9,10-dione IUPAC Name: (4aS,9aS)-1-anilino-4,5-dihydroxy-6-nitro-4a,9a-dihydroanthracene-9,10-dione Traditional Name: (4aS,9aS)-1-anilino-4,5-dihydroxy-6-nitro-4a,9a-dihydroanthracene-9,10-quinone Formula: C20H14N2O6 MolecularWeight: 378.33496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C3C2C(=O)C4=C(C3=O)C(=C(C=C4)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C([C@@H]3[C@@H]2C(=O)C4=C(C3=O)C(=C(C=C4)[N+](=O)[O-])O)O

InChI

InChI=1S/C20H14N2O6/c23-14-9-7-12(21-10-4-2-1-3-5-10)16-17(14)20(26)15-11(18(16)24)6-8-13(19(15)25)22(27)28/h1-9,16-17,21,23,25H/t16-,17-/m1/s1