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

Systemtic Name: dodecyl 4-chloranyl-3-[[(4,5-diisocyano-1-methyl-imidazol-2-yl)amino]carbamoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[(4,5-diisocyano-1-methyl-imidazol-2-yl)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[(4,5-diisocyano-1-methyl-2-imidazolyl)hydrazo]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[(4,5-diisocyano-1-methylimidazol-2-yl)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(4,5-diisocyano-1-methyl-imidazol-2-yl)amino]carbamoylamino]benzoic acid lauryl ester Formula: C26H34ClN7O3 MolecularWeight: 528.04626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=C(N2C)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=C(N2C)[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C26H34ClN7O3/c1-5-6-7-8-9-10-11-12-13-14-17-37-24(35)19-15-16-20(27)21(18-19)30-26(36)33-32-25-31-22(28-2)23(29-3)34(25)4/h15-16,18H,5-14,17H2,1,4H3,(H,31,32)(H2,30,33,36)