4-[4-(2-methoxyethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2-methoxyethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(2-methoxyethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(2-methoxyethylamino)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-methoxyethylamino)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-methoxyethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c1-25-9-8-18-14-7-6-11(10-15(14)21(23)24)16-12-4-2-3-5-13(12)17(22)20-19-16/h2-7,10,18H,8-9H2,1H3,(H,20,22)