N-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-methyl-5-nitro-phenyl)-3-phenyl-phthalazine-1-carboxamide Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O4/c1-14-11-12-16(26(29)30)13-19(14)23-21(27)20-17-9-5-6-10-18(17)22(28)25(24-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,27)