3-azanylpropan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxirane

Systemtic Name: 3-azanylpropan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxirane Openeye Name: 3-aminopropan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxirane CAS Name: 3-amino-1-propanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxirane IUPAC Name: 3-aminopropan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxirane Traditional Name: 3-aminopropan-1-ol; ethylene oxide; 1-isocyanato-4-(4-isocyanatobenzyl)benzene Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CN)CO

Isomeric SMILES

C1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CN)CO

InChI

InChI=1S/C15H10N2O2.C3H9NO.C2H4O/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;4-2-1-3-5;1-2-3-1/h1-8H,9H2;5H,1-4H2;1-2H2