(4Z)-1-(3,4-dimethylphenyl)-4-[(3-nitro-2-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: (4Z)-1-(3,4-dimethylphenyl)-4-[(3-nitro-2-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: (4Z)-1-(3,4-dimethylphenyl)-4-[(2-hydroxy-3-nitro-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: (4Z)-1-(3,4-dimethylphenyl)-4-[(2-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: (4Z)-1-(3,4-dimethylphenyl)-4-[(2-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: (4Z)-1-(3,4-dimethylphenyl)-4-(2-hydroxy-3-nitro-benzylidene)pyrazolidine-3,5-quinone Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])O)C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=C(C(=CC=C3)[N+](=O)[O-])O)/C(=O)N2)C

InChI

InChI=1S/C18H15N3O5/c1-10-6-7-13(8-11(10)2)20-18(24)14(17(23)19-20)9-12-4-3-5-15(16(12)22)21(25)26/h3-9,22H,1-2H3,(H,19,23)/b14-9-