(2-nitrophenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (2-nitrophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (2-nitrobenzyl) ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c21-16(25-10-11-5-1-4-8-15(11)20(23)24)9-14-12-6-2-3-7-13(12)17(22)19-18-14/h1-8H,9-10H2,(H,19,22)