4-[(2E)-2-[1-(4-butoxy-3-nitro-phenyl)ethylidene]hydrazinyl]-1,3-diazinan-2-one

Systemtic Name: 4-[(2E)-2-[1-(4-butoxy-3-nitro-phenyl)ethylidene]hydrazinyl]-1,3-diazinan-2-one Openeye Name: 4-[(2E)-2-[1-(4-butoxy-3-nitro-phenyl)ethylidene]hydrazino]hexahydropyrimidin-2-one CAS Name: 4-[(2E)-2-[1-(4-butoxy-3-nitrophenyl)ethylidene]hydrazinyl]-1,3-diazinan-2-one IUPAC Name: 4-[(2E)-2-[1-(4-butoxy-3-nitrophenyl)ethylidene]hydrazinyl]-1,3-diazinan-2-one Traditional Name: 4-[(N'E)-N'-[1-(4-butoxy-3-nitro-phenyl)ethylidene]hydrazino]hexahydropyrimidin-2-one Formula: C16H23N5O4 MolecularWeight: 349.38492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=NNC2CCNC(=O)N2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C(=N/NC2CCNC(=O)N2)/C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-3-4-9-25-14-6-5-12(10-13(14)21(23)24)11(2)19-20-15-7-8-17-16(22)18-15/h5-6,10,15,20H,3-4,7-9H2,1-2H3,(H2,17,18,22)/b19-11+