(2E)-N-hexadecyl-2-isocyano-2-[(3Z)-3-(1-isocyanoethylidene)isoindol-1-ylidene]-N-methyl-ethanamide

Systemtic Name: (2E)-N-hexadecyl-2-isocyano-2-[(3Z)-3-(1-isocyanoethylidene)isoindol-1-ylidene]-N-methyl-ethanamide Openeye Name: (2E)-N-hexadecyl-2-isocyano-2-[(3Z)-3-(1-isocyanoethylidene)isoindolin-1-ylidene]-N-methyl-acetamide CAS Name: (2E)-N-hexadecyl-2-isocyano-2-[(3Z)-3-(1-isocyanoethylidene)-1-isoindolylidene]-N-methylacetamide IUPAC Name: (2E)-N-hexadecyl-2-isocyano-2-[(3Z)-3-(1-isocyanoethylidene)isoindol-1-ylidene]-N-methylacetamide Traditional Name: (2E)-N-cetyl-2-isocyano-2-[(3Z)-3-(1-isocyanoethylidene)isoindolin-1-ylidene]-N-methyl-acetamide Formula: C31H44N4O MolecularWeight: 488.70726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)C(=O)C(=C1C2=CC=CC=C2C(=C(C)[N+]#[C-])N1)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)C(=O)/C(=C\1/C2=CC=CC=C2/C(=C(\C)/[N+]#[C-])/N1)/[N+]#[C-]

InChI

InChI=1S/C31H44N4O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-35(5)31(36)30(33-4)29-27-23-20-19-22-26(27)28(34-29)25(2)32-3/h19-20,22-23,34H,6-18,21,24H2,1-2,5H3/b28-25-,30-29+