7-nitro-3-[4-[[4-[7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]phenyl]methyl]phenyl]-1H-quinazoline-2,4-dione

Systemtic Name: 7-nitro-3-[4-[[4-[7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]phenyl]methyl]phenyl]-1H-quinazoline-2,4-dione Openeye Name: 7-nitro-3-[4-[[4-(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-1H-quinazoline-2,4-dione CAS Name: 7-nitro-3-[4-[[4-(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-1H-quinazoline-2,4-dione IUPAC Name: 7-nitro-3-[4-[[4-(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-[4-(2,4-diketo-7-nitro-1H-quinazolin-3-yl)benzyl]phenyl]-7-nitro-1H-quinazoline-2,4-quinone Formula: C29H18N6O8 MolecularWeight: 578.48862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)N5C(=O)C6=C(C=C(C=C6)[N+](=O)[O-])NC5=O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)N5C(=O)C6=C(C=C(C=C6)[N+](=O)[O-])NC5=O

InChI

InChI=1S/C29H18N6O8/c36-26-22-11-9-20(34(40)41)14-24(22)30-28(38)32(26)18-5-1-16(2-6-18)13-17-3-7-19(8-4-17)33-27(37)23-12-10-21(35(42)43)15-25(23)31-29(33)39/h1-12,14-15H,13H2,(H,30,38)(H,31,39)