6-nitro-3-[(4-nitrophenyl)methyl]-2-[2-(4-nitrophenyl)-1-phenyl-ethyl]quinazolin-4-one

Systemtic Name: 6-nitro-3-[(4-nitrophenyl)methyl]-2-[2-(4-nitrophenyl)-1-phenyl-ethyl]quinazolin-4-one Openeye Name: 6-nitro-3-[(4-nitrophenyl)methyl]-2-[2-(4-nitrophenyl)-1-phenyl-ethyl]quinazolin-4-one CAS Name: 6-nitro-3-[(4-nitrophenyl)methyl]-2-[2-(4-nitrophenyl)-1-phenylethyl]-4-quinazolinone IUPAC Name: 6-nitro-3-[(4-nitrophenyl)methyl]-2-[2-(4-nitrophenyl)-1-phenylethyl]quinazolin-4-one Traditional Name: 6-nitro-3-(4-nitrobenzyl)-2-[2-(4-nitrophenyl)-1-phenyl-ethyl]quinazolin-4-one Formula: C29H21N5O7 MolecularWeight: 551.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H21N5O7/c35-29-26-17-24(34(40)41)14-15-27(26)30-28(31(29)18-20-8-12-23(13-9-20)33(38)39)25(21-4-2-1-3-5-21)16-19-6-10-22(11-7-19)32(36)37/h1-15,17,25H,16,18H2