2-[3-[cyano-(2-methoxyphenyl)methyl]-2-(5-nitro-2-oxidanyl-phenyl)-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)ethanenitrile

Systemtic Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-(5-nitro-2-oxidanyl-phenyl)-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)ethanenitrile Openeye Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-(2-hydroxy-5-nitro-phenyl)hexahydropyrimidin-1-yl]-2-(2-methoxyphenyl)acetonitrile CAS Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-(2-hydroxy-5-nitrophenyl)-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)acetonitrile IUPAC Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-(2-hydroxy-5-nitrophenyl)-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)acetonitrile Traditional Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-(2-hydroxy-5-nitro-phenyl)hexahydropyrimidin-1-yl]-2-(2-methoxyphenyl)acetonitrile Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)N2CCCN(C2C3=C(C=CC(=C3)[N+](=O)[O-])O)C(C#N)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1C(C#N)N2CCCN(C2C3=C(C=CC(=C3)[N+](=O)[O-])O)C(C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C28H27N5O5/c1-37-26-10-5-3-8-20(26)23(17-29)31-14-7-15-32(24(18-30)21-9-4-6-11-27(21)38-2)28(31)22-16-19(33(35)36)12-13-25(22)34/h3-6,8-13,16,23-24,28,34H,7,14-15H2,1-2H3