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

Systemtic Name: 2-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(7-nitro-4-oxo-quinazolin-3-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(7-nitro-4-oxo-3-quinazolinyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(7-nitro-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-keto-7-nitro-quinazolin-3-yl)ethyl]isoindoline-1,3-quinone Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5/c23-16-14-6-5-11(22(26)27)9-15(14)19-10-20(16)7-8-21-17(24)12-3-1-2-4-13(12)18(21)25/h1-6,9-10H,7-8H2