azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethyloxy)ethanol Openeye Name: azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethoxy)ethanol CAS Name: 2-azepanone; 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol IUPAC Name: azepan-2-one; 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol Traditional Name: azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethoxy)ethanol Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C(COCCO)O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C(COCCO)O

InChI

InChI=1S/C9H6N2O2.C6H11NO.C4H10O3/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;8-6-4-2-1-3-5-7-6;5-1-3-7-4-2-6/h2-4H,1H3;1-5H2,(H,7,8);5-6H,1-4H2