3-(4-tert-butylphenyl)-6-nitro-2H-phthalazine-1,4-dione

Systemtic Name: 3-(4-tert-butylphenyl)-6-nitro-2H-phthalazine-1,4-dione Openeye Name: 3-(4-tert-butylphenyl)-6-nitro-2H-phthalazine-1,4-dione CAS Name: 3-(4-tert-butylphenyl)-6-nitro-2H-phthalazine-1,4-dione IUPAC Name: 3-(4-tert-butylphenyl)-6-nitro-2H-phthalazine-1,4-dione Traditional Name: 3-(4-tert-butylphenyl)-6-nitro-2H-phthalazine-1,4-quinone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-18(2,3)11-4-6-12(7-5-11)20-17(23)15-10-13(21(24)25)8-9-14(15)16(22)19-20/h4-10H,1-3H3,(H,19,22)