4-[[4-(4-chloranyl-2-nitro-phenoxy)phenyl]methylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-(4-chloranyl-2-nitro-phenoxy)phenyl]methylamino]-2H-phthalazin-1-one Openeye Name: 4-[[4-(4-chloro-2-nitro-phenoxy)phenyl]methylamino]-2H-phthalazin-1-one CAS Name: 4-[[4-(4-chloro-2-nitrophenoxy)phenyl]methylamino]-2H-phthalazin-1-one IUPAC Name: 4-[[4-(4-chloro-2-nitrophenoxy)phenyl]methylamino]-2H-phthalazin-1-one Traditional Name: 4-[[4-(4-chloro-2-nitro-phenoxy)benzyl]amino]-2H-phthalazin-1-one Formula: C21H15ClN4O4 MolecularWeight: 422.8212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCC3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCC3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O4/c22-14-7-10-19(18(11-14)26(28)29)30-15-8-5-13(6-9-15)12-23-20-16-3-1-2-4-17(16)21(27)25-24-20/h1-11H,12H2,(H,23,24)(H,25,27)