5-butyl-6-methyl-2-[(4-nitrophenyl)amino]-1,3-diazinan-4-one

Systemtic Name: 5-butyl-6-methyl-2-[(4-nitrophenyl)amino]-1,3-diazinan-4-one Openeye Name: 5-butyl-6-methyl-2-(4-nitroanilino)hexahydropyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-(4-nitroanilino)-1,3-diazinan-4-one IUPAC Name: 5-butyl-6-methyl-2-(4-nitroanilino)-1,3-diazinan-4-one Traditional Name: 5-butyl-6-methyl-2-(4-nitroanilino)hexahydropyrimidin-4-one Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1C(NC(NC1=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H22N4O3/c1-3-4-5-13-10(2)16-15(18-14(13)20)17-11-6-8-12(9-7-11)19(21)22/h6-10,13,15-17H,3-5H2,1-2H3,(H,18,20)