1-azanyl-2-[5-[(4-chlorophenyl)amino]-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[5-[(4-chlorophenyl)amino]-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione Openeye Name: 1-amino-2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione CAS Name: 1-amino-2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione IUPAC Name: 1-amino-2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione Traditional Name: 1-amino-2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]-9,10-anthraquinone Formula: C22H13ClN4O3 MolecularWeight: 416.81662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)NC5=CC=C(C=C5)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)NC5=CC=C(C=C5)Cl)N

InChI

InChI=1S/C22H13ClN4O3/c23-11-5-7-12(8-6-11)25-22-27-26-21(30-22)16-10-9-15-17(18(16)24)20(29)14-4-2-1-3-13(14)19(15)28/h1-10H,24H2,(H,25,27)