isocyanatomethylbenzene; 5-[(4-nitrophenyl)methyl]-3-(phenylmethyl)-1,3-oxazolidine-2,4-dione

Systemtic Name: isocyanatomethylbenzene; 5-[(4-nitrophenyl)methyl]-3-(phenylmethyl)-1,3-oxazolidine-2,4-dione Openeye Name: 3-benzyl-5-[(4-nitrophenyl)methyl]oxazolidine-2,4-dione; isocyanatomethylbenzene CAS Name: isocyanatomethylbenzene; 5-[(4-nitrophenyl)methyl]-3-(phenylmethyl)oxazolidine-2,4-dione IUPAC Name: 3-benzyl-5-[(4-nitrophenyl)methyl]-1,3-oxazolidine-2,4-dione; isocyanatomethylbenzene Traditional Name: 3-benzyl-5-(4-nitrobenzyl)oxazolidine-2,4-quinone; isocyanatomethylbenzene Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C=O.C1=CC=C(C=C1)CN2C(=O)C(OC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN=C=O.C1=CC=C(C=C1)CN2C(=O)C(OC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5.C8H7NO/c20-16-15(10-12-6-8-14(9-7-12)19(22)23)24-17(21)18(16)11-13-4-2-1-3-5-13;10-7-9-6-8-4-2-1-3-5-8/h1-9,15H,10-11H2;1-5H,6H2