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

Systemtic Name: 2,4-diisocyanato-1-methyl-benzene; ethane-1,2-diamine; oxepan-2-one Openeye Name: 2,4-diisocyanato-1-methyl-benzene; ethane-1,2-diamine; oxepan-2-one CAS Name: 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diamine; 2-oxepanone IUPAC Name: 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diamine; oxepan-2-one Traditional Name: 2-aminoethylamine; 2,4-diisocyanato-1-methyl-benzene; oxepan-2-one Formula: C17H24N4O4 MolecularWeight: 348.39686

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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.C(CN)N

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C6H10O2.C2H8N2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;7-6-4-2-1-3-5-8-6;3-1-2-4/h2-4H,1H3;1-5H2;1-4H2