2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one

Systemtic Name: 2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one Openeye Name: 2-(5-morpholino-2-nitro-phenyl)phthalazin-1-one CAS Name: 2-[5-(4-morpholinyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one Traditional Name: 2-(5-morpholino-2-nitro-phenyl)phthalazin-1-one Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H16N4O4/c23-18-15-4-2-1-3-13(15)12-19-21(18)17-11-14(5-6-16(17)22(24)25)20-7-9-26-10-8-20/h1-6,11-12H,7-10H2