1-isocyanato-4-[1-(4-isocyanatophenyl)-1-phenyl-ethyl]-2-nitro-benzene

Systemtic Name: 1-isocyanato-4-[1-(4-isocyanatophenyl)-1-phenyl-ethyl]-2-nitro-benzene Openeye Name: 1-isocyanato-4-[1-(4-isocyanatophenyl)-1-phenyl-ethyl]-2-nitro-benzene CAS Name: 1-isocyanato-4-[1-(4-isocyanatophenyl)-1-phenylethyl]-2-nitrobenzene IUPAC Name: 1-isocyanato-4-[1-(4-isocyanatophenyl)-1-phenylethyl]-2-nitrobenzene Traditional Name: 1-isocyanato-4-[1-(4-isocyanatophenyl)-1-phenyl-ethyl]-2-nitro-benzene Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)N=C=O)C3=CC(=C(C=C3)N=C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)N=C=O)C3=CC(=C(C=C3)N=C=O)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O4/c1-22(16-5-3-2-4-6-16,17-7-10-19(11-8-17)23-14-26)18-9-12-20(24-15-27)21(13-18)25(28)29/h2-13H,1H3