N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H16N4O5/c27-19-11-10-16(26(30)31)12-14(19)13-23-21(28)20-17-8-4-5-9-18(17)22(29)25(24-20)15-6-2-1-3-7-15/h1-12,27H,13H2,(H,23,28)