N1'-(cyanomethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(cyanomethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(cyanomethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(cyanomethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(cyanomethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(cyanomethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1(C2=CC=C(C=C2)O)[N+](=O)[O-])(C(=O)N)C(=O)NCC#N

Isomeric SMILES

CCC1=CC=CC(C1(C2=CC=C(C=C2)O)[N+](=O)[O-])(C(=O)N)C(=O)NCC#N

InChI

InChI=1S/C18H18N4O5/c1-2-12-4-3-9-17(15(20)24,16(25)21-11-10-19)18(12,22(26)27)13-5-7-14(23)8-6-13/h3-9,23H,2,11H2,1H3,(H2,20,24)(H,21,25)