5-hex-1-ynyl-1-[(4-nitrophenyl)methyl]-3-(phenylcarbonyl)pyrimidine-2,4-dione

Systemtic Name: 5-hex-1-ynyl-1-[(4-nitrophenyl)methyl]-3-(phenylcarbonyl)pyrimidine-2,4-dione Openeye Name: 3-benzoyl-5-hex-1-ynyl-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione CAS Name: 3-benzoyl-5-hex-1-ynyl-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione IUPAC Name: 3-benzoyl-5-hex-1-ynyl-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione Traditional Name: 3-benzoyl-5-hex-1-ynyl-1-(4-nitrobenzyl)pyrimidine-2,4-quinone Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC#CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c1-2-3-4-6-11-20-17-25(16-18-12-14-21(15-13-18)27(31)32)24(30)26(23(20)29)22(28)19-9-7-5-8-10-19/h5,7-10,12-15,17H,2-4,16H2,1H3