N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H20N4O5/c29-21(17-10-12-18(13-11-17)28(32)33)14-25-23(30)22-19-8-4-5-9-20(19)24(31)27(26-22)15-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,25,30)