1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-7-nitro-3-propan-2-yl-quinazoline-2,4-dione

Systemtic Name: 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-7-nitro-3-propan-2-yl-quinazoline-2,4-dione Openeye Name: 1-[(1,3-dioxoisoindolin-2-yl)methyl]-3-isopropyl-7-nitro-quinazoline-2,4-dione CAS Name: 1-[(1,3-dioxo-2-isoindolyl)methyl]-7-nitro-3-propan-2-ylquinazoline-2,4-dione IUPAC Name: 1-[(1,3-dioxoisoindol-2-yl)methyl]-7-nitro-3-propan-2-ylquinazoline-2,4-dione Traditional Name: 3-isopropyl-7-nitro-1-(phthalimidomethyl)quinazoline-2,4-quinone Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16N4O6/c1-11(2)23-19(27)15-8-7-12(24(29)30)9-16(15)21(20(23)28)10-22-17(25)13-5-3-4-6-14(13)18(22)26/h3-9,11H,10H2,1-2H3