2,4-diisocyanato-1-methyl-benzene; oxepan-2-one

Systemtic Name: 2,4-diisocyanato-1-methyl-benzene; oxepan-2-one Openeye Name: 2,4-diisocyanato-1-methyl-benzene; oxepan-2-one CAS Name: 2,4-diisocyanato-1-methylbenzene; 2-oxepanone IUPAC Name: 2,4-diisocyanato-1-methylbenzene; oxepan-2-one Traditional Name: 2,4-diisocyanato-1-methyl-benzene; oxepan-2-one Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=O)N=C=O.C1CCC(=O)OCC1

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=O)N=C=O.C1CCC(=O)OCC1

InChI

InChI=1S/C9H6N2O2.C6H10O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;7-6-4-2-1-3-5-8-6/h2-4H,1H3;1-5H2