2-[4-(7-nitro-4-oxidanylidene-quinazolin-3-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(7-nitro-4-oxidanylidene-quinazolin-3-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(7-nitro-4-oxo-quinazolin-3-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(7-nitro-4-oxo-3-quinazolinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(7-nitro-4-oxoquinazolin-3-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-keto-7-nitro-quinazolin-3-yl)butyl]isoindoline-1,3-quinone Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c25-18-16-8-7-13(24(28)29)11-17(16)21-12-22(18)9-3-4-10-23-19(26)14-5-1-2-6-15(14)20(23)27/h1-2,5-8,11-12H,3-4,9-10H2