3-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]-7-nitro-quinazolin-4-one Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N5O5/c1-20(2)19(28)22-14-5-3-4-6-16(14)24(20)17(26)10-23-11-21-15-9-12(25(29)30)7-8-13(15)18(23)27/h3-9,11H,10H2,1-2H3,(H,22,28)