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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-(2-methyl-3-nitro-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-methyl-3-nitro-phenyl)phthalazine-1-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-12(2)11-23-20(26)15-8-5-4-7-14(15)18(22-23)19(25)21-16-9-6-10-17(13(16)3)24(27)28/h4-10,12H,11H2,1-3H3,(H,21,25)