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

Systemtic Name: 1-(4-bromophenyl)-4-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(4-bromophenyl)-4-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(4-bromophenyl)-4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(4-bromophenyl)-4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(4-bromophenyl)-4-(2-hydroxy-3-methoxy-5-nitro-benzylidene)pyrazolidine-3,5-quinone Formula: C17H12BrN3O6 MolecularWeight: 434.19768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H12BrN3O6/c1-27-14-8-12(21(25)26)6-9(15(14)22)7-13-16(23)19-20(17(13)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,19,23)