5-[4-(isocyanatomethyl)phenyl]-2-nitro-3-phenyl-1-benzofuran

Systemtic Name: 5-[4-(isocyanatomethyl)phenyl]-2-nitro-3-phenyl-1-benzofuran Openeye Name: 5-[4-(isocyanatomethyl)phenyl]-2-nitro-3-phenyl-benzofuran CAS Name: 5-[4-(isocyanatomethyl)phenyl]-2-nitro-3-phenylbenzofuran IUPAC Name: 5-[4-(isocyanatomethyl)phenyl]-2-nitro-3-phenyl-1-benzofuran Traditional Name: 5-[4-(isocyanatomethyl)phenyl]-2-nitro-3-phenyl-benzofuran Formula: C22H14N2O4 MolecularWeight: 370.35756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C4=CC=C(C=C4)CN=C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C4=CC=C(C=C4)CN=C=O)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O4/c25-14-23-13-15-6-8-16(9-7-15)18-10-11-20-19(12-18)21(22(28-20)24(26)27)17-4-2-1-3-5-17/h1-12H,13H2