2,4-bis(3-isocyanato-4-methyl-phenyl)-1-oxidanylidene-1,2-diazetidin-1-ium-3-one

Systemtic Name: 2,4-bis(3-isocyanato-4-methyl-phenyl)-1-oxidanylidene-1,2-diazetidin-1-ium-3-one Openeye Name: 2,4-bis(3-isocyanato-4-methyl-phenyl)-1-oxo-diazetidin-1-ium-3-one CAS Name: 2,4-bis(3-isocyanato-4-methylphenyl)-1-oxo-3-diazetidin-1-iumone IUPAC Name: 2,4-bis(3-isocyanato-4-methylphenyl)-1-oxodiazetidin-1-ium-3-one Traditional Name: 2,4-bis(3-isocyanato-4-methyl-phenyl)-1-keto-diazetidin-1-ium-3-one Formula: C18H13N4O4+ MolecularWeight: 349.32022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=O)N([N+]2=O)C3=CC(=C(C=C3)C)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=O)N([N+]2=O)C3=CC(=C(C=C3)C)N=C=O)N=C=O

InChI

InChI=1S/C18H13N4O4/c1-11-3-5-13(7-15(11)19-9-23)17-18(25)21(22(17)26)14-6-4-12(2)16(8-14)20-10-24/h3-8,17H,1-2H3/q+1