2-[4-(isocyanomethyl)-3-nitro-phenyl]-1,3-benzoxazole

Systemtic Name: 2-[4-(isocyanomethyl)-3-nitro-phenyl]-1,3-benzoxazole Openeye Name: 2-[4-(isocyanomethyl)-3-nitro-phenyl]-1,3-benzoxazole CAS Name: 2-[4-(isocyanomethyl)-3-nitrophenyl]-1,3-benzoxazole IUPAC Name: 2-[4-(isocyanomethyl)-3-nitrophenyl]-1,3-benzoxazole Traditional Name: 2-[4-(isocyanomethyl)-3-nitro-phenyl]-1,3-benzoxazole Formula: C15H9N3O3 MolecularWeight: 279.25026

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O3/c1-16-9-11-7-6-10(8-13(11)18(19)20)15-17-12-4-2-3-5-14(12)21-15/h2-8H,9H2