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

Systemtic Name: 1-isocyanato-4-[(4-isocyanatophenyl)-phenyl-methyl]-2-nitro-benzene Openeye Name: 1-isocyanato-4-[(4-isocyanatophenyl)-phenyl-methyl]-2-nitro-benzene CAS Name: 1-isocyanato-4-[(4-isocyanatophenyl)-phenylmethyl]-2-nitrobenzene IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)-phenylmethyl]-2-nitrobenzene Traditional Name: 1-isocyanato-4-[(4-isocyanatophenyl)-phenyl-methyl]-2-nitro-benzene Formula: C21H13N3O4 MolecularWeight: 371.34562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N3O4/c25-13-22-18-9-6-16(7-10-18)21(15-4-2-1-3-5-15)17-8-11-19(23-14-26)20(12-17)24(27)28/h1-12,21H