2-[3-(3-nitro-2-oxidanyl-phenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]indene-1,3-dione

Systemtic Name: 2-[3-(3-nitro-2-oxidanyl-phenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]indene-1,3-dione Openeye Name: 2-[3-(2-hydroxy-3-nitro-phenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]indane-1,3-dione CAS Name: 2-[3-(2-hydroxy-3-nitrophenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]indene-1,3-dione IUPAC Name: 2-[3-(2-hydroxy-3-nitrophenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]indene-1,3-dione Traditional Name: 2-[3-(2-hydroxy-3-nitro-phenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]indane-1,3-quinone Formula: C25H17N3O5 MolecularWeight: 439.41958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(N=NC2C3=C(C(=CC=C3)[N+](=O)[O-])O)C4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2C=C(N=NC2C3=C(C(=CC=C3)[N+](=O)[O-])O)C4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17N3O5/c29-23-17(11-6-12-20(23)28(32)33)22-18(14-7-2-1-3-8-14)13-19(26-27-22)21-24(30)15-9-4-5-10-16(15)25(21)31/h1-13,18,21-22,29H