4-methyl-2-(2-methyl-5-nitro-phenyl)phthalazin-1-one

Systemtic Name: 4-methyl-2-(2-methyl-5-nitro-phenyl)phthalazin-1-one Openeye Name: 4-methyl-2-(2-methyl-5-nitro-phenyl)phthalazin-1-one CAS Name: 4-methyl-2-(2-methyl-5-nitrophenyl)-1-phthalazinone IUPAC Name: 4-methyl-2-(2-methyl-5-nitrophenyl)phthalazin-1-one Traditional Name: 4-methyl-2-(2-methyl-5-nitro-phenyl)phthalazin-1-one Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C(=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C(=N2)C

InChI

InChI=1S/C16H13N3O3/c1-10-7-8-12(19(21)22)9-15(10)18-16(20)14-6-4-3-5-13(14)11(2)17-18/h3-9H,1-2H3