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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2-hydroxy-5-nitro-benzyl)-4-keto-phthalazine-1-carboxamide Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N4O5/c28-20-11-10-17(27(31)32)12-16(20)13-24-22(29)21-18-8-4-5-9-19(18)23(30)26(25-21)14-15-6-2-1-3-7-15/h1-12,28H,13-14H2,(H,24,29)