3-methyl-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxamide Formula: C19H16F3N5O4 MolecularWeight: 435.35665

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N5O4/c1-26-18(29)13-5-3-2-4-12(13)16(25-26)17(28)24-9-8-23-14-7-6-11(19(20,21)22)10-15(14)27(30)31/h2-7,10,23H,8-9H2,1H3,(H,24,28)