2-[[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(2-chloro-6-nitro-phenoxy)phenyl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(2-chloro-6-nitrophenoxy)phenyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(2-chloro-6-nitrophenoxy)phenyl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[4-(2-chloro-6-nitro-phenoxy)benzyl]-4-phenyl-phthalazin-1-one Formula: C27H18ClN3O4 MolecularWeight: 483.90252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)OC5=C(C=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)OC5=C(C=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H18ClN3O4/c28-23-11-6-12-24(31(33)34)26(23)35-20-15-13-18(14-16-20)17-30-27(32)22-10-5-4-9-21(22)25(29-30)19-7-2-1-3-8-19/h1-16H,17H2