dodecyl 4-chloranyl-3-[[(4,5-diisocyano-1,3-oxazol-2-yl)amino]carbamoylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[(4,5-diisocyano-1,3-oxazol-2-yl)amino]carbamoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[(4,5-diisocyanooxazol-2-yl)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[(4,5-diisocyano-2-oxazolyl)hydrazo]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[(4,5-diisocyano-1,3-oxazol-2-yl)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(4,5-diisocyanooxazol-2-yl)amino]carbamoylamino]benzoic acid lauryl ester Formula: C25H31ClN6O4 MolecularWeight: 515.00444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=C(O2)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=C(O2)[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C25H31ClN6O4/c1-4-5-6-7-8-9-10-11-12-13-16-35-23(33)18-14-15-19(26)20(17-18)29-24(34)31-32-25-30-21(27-2)22(28-3)36-25/h14-15,17H,4-13,16H2,1H3,(H,30,32)(H2,29,31,34)