6-nitro-1,3-bis(phenylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one

Systemtic Name: 6-nitro-1,3-bis(phenylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one Openeye Name: 1,3-dibenzyl-6-nitro-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one CAS Name: 6-nitro-1,3-bis(phenylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one IUPAC Name: 1,3-dibenzyl-6-nitro-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one Traditional Name: 1,3-dibenzyl-6-nitro-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one Formula: C31H29N3O6 MolecularWeight: 539.57846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2N(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2N(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O6/c1-38-27-16-23(17-28(39-2)29(27)40-3)30-32(19-21-10-6-4-7-11-21)26-15-14-24(34(36)37)18-25(26)31(35)33(30)20-22-12-8-5-9-13-22/h4-18,30H,19-20H2,1-3H3