(NZ)-N-butan-2-ylidenehydroxylamine; 1,3-diisocyanato-2-methyl-benzene; oxepan-2-one

Systemtic Name: (NZ)-N-butan-2-ylidenehydroxylamine; 1,3-diisocyanato-2-methyl-benzene; oxepan-2-one Openeye Name: butan-2-one oxime; 1,3-diisocyanato-2-methyl-benzene; oxepan-2-one CAS Name: 2-butanone oxime; 1,3-diisocyanato-2-methylbenzene; 2-oxepanone IUPAC Name: (NZ)-N-butan-2-ylidenehydroxylamine; 1,3-diisocyanato-2-methylbenzene; oxepan-2-one Traditional Name: butan-2-one oxime; 1,3-diisocyanato-2-methyl-benzene; oxepan-2-one Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NO)C.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)OCC1

Isomeric SMILES

CC/C(=N\O)/C.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)OCC1

InChI

InChI=1S/C9H6N2O2.C6H10O2.C4H9NO/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-6-4-2-1-3-5-8-6;1-3-4(2)5-6/h2-4H,1H3;1-5H2;6H,3H2,1-2H3/b;;5-4-