1-(4-chlorophenyl)-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: 1-(4-chlorophenyl)-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(4-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitro-benzylidene)pyrazolidine-3,5-quinone Formula: C17H12ClN3O6 MolecularWeight: 389.74668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O6/c1-27-14-8-9(7-13(15(14)22)21(25)26)6-12-16(23)19-20(17(12)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,19,23)