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

Systemtic Name: 1-(4-bromophenyl)-4-[(3-methyl-5-nitro-2-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(4-bromophenyl)-4-[(2-hydroxy-3-methyl-5-nitro-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(4-bromophenyl)-4-[(2-hydroxy-3-methyl-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(4-bromophenyl)-4-[(2-hydroxy-3-methyl-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(4-bromophenyl)-4-(2-hydroxy-3-methyl-5-nitro-benzylidene)pyrazolidine-3,5-quinone Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H12BrN3O5/c1-9-6-13(21(25)26)7-10(15(9)22)8-14-16(23)19-20(17(14)24)12-4-2-11(18)3-5-12/h2-8,22H,1H3,(H,19,23)