1-(3,4-dimethylphenyl)-4-[(6-nitro-2-oxidanyl-naphthalen-1-yl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[(6-nitro-2-oxidanyl-naphthalen-1-yl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[(2-hydroxy-6-nitro-1-naphthyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[(2-hydroxy-6-nitro-1-naphthalenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-[(2-hydroxy-6-nitro-1-naphthyl)methylene]pyrazolidine-3,5-quinone Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])O)C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])O)C(=O)N2)C

InChI

InChI=1S/C22H17N3O5/c1-12-3-5-15(9-13(12)2)24-22(28)19(21(27)23-24)11-18-17-7-6-16(25(29)30)10-14(17)4-8-20(18)26/h3-11,26H,1-2H3,(H,23,27)